P13, the EMBL macromolecular crystallography beamline at the low-emittance PETRA III ring for high- and low-energy phasing with variable beam focusing.
P13, the EMBL macromolecular crystallography beamline at the low-emittance PETRA III ring for high- and low-energy phasing with variable beam focusing.
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DOI：
10.1107/s1600577516016465
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发表时间：
2017-01-01
影响因子：
2.5
通讯作者：
Schneider TR
中科院分区：
文献类型：
--
作者：
Cianci M;Bourenkov G;Pompidor G;Karpics I;Kallio J;Bento I;Roessle M;Cipriani F;Fiedler S;Schneider TR
基于低发射度源PETRA III的P13大分子晶体学光束线，实现了在宽波长范围（0.7-3.1 Å）对大分子晶体进行x射线衍射实验。光束有一个可变的焦点大小和一个小的发散使数据收集微米大小的晶体。大分子晶体学P13光束线是PETRA III （DESY, Hamburg, Germany）欧洲分子生物学实验室结构生物学综合设施的一部分，自2013年中期以来一直在用户操作中。P13在4至17.5 keV的能量范围内可调，以支持利用广泛的元素吸收边进行实验相位测定的晶体学数据采集。自适应柯克-帕特里克-贝兹聚焦系统提供了具有高光子通量和可调焦尺寸的x射线束，以适应不同的实验情况。能量低至4 keV （λ = 3.1 Å）的数据收集是可能的，因为光束线设计最小化背景和最大化光子通量，特别是在低能量下（在4 keV时高达1011光子s - 1）， PILATUS 6M-F探测器用于低能量的定制校准，以及氦路径的可用性。在高能时，高光子通量（17.5 keV时5.4 × 1011光子s−1）与安装在2θ臂上的大面积探测器相结合，可以使数据收集达到亚原子分辨率（0.55 Å）。在11kev时达到约8.0 × 1012光子s−1的峰值通量。自动样品安装可通过机器人样品转换器“MARVIN”与杜瓦容量160个样品。在光束线附近，已经建立了用于样品制备和表征的实验室；一个专门为现场重原子衍生化配备的实验室，拥有超过150种化合物的库，可供光束线用户使用。
The P13 macromolecular crystallography beamline, based on the low-emittance source PETRA III, enables X-ray diffraction experiments on macromolecular crystals over a wide wavelength range (0.7–3.1 Å). The beam has a variable focus size and a small divergence enabling data collection on micrometre-sized crystals. The macromolecular crystallography P13 beamline is part of the European Molecular Biology Laboratory Integrated Facility for Structural Biology at PETRA III (DESY, Hamburg, Germany) and has been in user operation since mid-2013. P13 is tunable across the energy range from 4 to 17.5 keV to support crystallographic data acquisition exploiting a wide range of elemental absorption edges for experimental phase determination. An adaptive Kirkpatrick–Baez focusing system provides an X-ray beam with a high photon flux and tunable focus size to adapt to diverse experimental situations. Data collections at energies as low as 4 keV (λ = 3.1 Å) are possible due to a beamline design minimizing background and maximizing photon flux particularly at low energy (up to 1011 photons s−1 at 4 keV), a custom calibration of the PILATUS 6M-F detector for use at low energies, and the availability of a helium path. At high energies, the high photon flux (5.4 × 1011 photons s−1 at 17.5 keV) combined with a large area detector mounted on a 2θ arm allows data collection to sub-atomic resolution (0.55 Å). A peak flux of about 8.0 × 1012 photons s−1 is reached at 11 keV. Automated sample mounting is available by means of the robotic sample changer ‘MARVIN’ with a dewar capacity of 160 samples. In close proximity to the beamline, laboratories have been set up for sample preparation and characterization; a laboratory specifically equipped for on-site heavy atom derivatization with a library of more than 150 compounds is available to beamline users.