5NYV
Crystal structure determination from picosecond infrared laser ablated protein crystals by serial synchrotron crystallography
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 | 2016-12-12 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.976 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.535, 80.889, 85.633 |
Unit cell angles | 90.00, 102.72, 90.00 |
Refinement procedure
Resolution | 83.534 - 1.600 |
R-factor | 0.1933 |
Rwork | 0.193 |
R-free | 0.21930 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.833 |
Data reduction software | cctbx.xfel |
Data scaling software | cctbx.prime |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_2666: ???)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 83.700 |
High resolution limit [Å] | 1.600 |
Number of reflections | 4516925 |
<I/σ(I)> | 4.2 |
Completeness [%] | 99.7 |
Redundancy | 59.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 8.5 | 293 | 18-20 % (w/v) PEG3350, 200 mM CaCl2, and 100 mM Tris-HCl pH 8.5 |