5O2I
An efficient setup for fixed-target, time-resolved serial crystallography with optical excitation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2016-06-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97626 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.423, 80.704, 85.760 |
Unit cell angles | 90.00, 102.90, 90.00 |
Refinement procedure
Resolution | 83.595 - 2.000 |
R-factor | 0.2113 |
Rwork | 0.210 |
R-free | 0.24180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3r3u |
RMSD bond length | 0.003 |
RMSD bond angle | 0.611 |
Data reduction software | cctbx.xfel |
Data scaling software | cctbx.prime |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 83.620 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 35399 | |
<I/σ(I)> | 1.39 | |
Completeness [%] | 99.5 | |
Redundancy | 77.15 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 8.5 | 293 | 18-20 % (w/v) PEG3350, 200 mM CaCl2, 100 mM Tris-HCl pH 8.5 |