4A7D
X-ray crystal structure of HEWL flash-cooled at high pressure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-02-21 |
Detector | DECTRIS PILATUS 2M |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 77.222, 77.222, 37.007 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.305 - 1.497 |
R-factor | 0.1767 |
Rwork | 0.175 |
R-free | 0.20340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 193l |
RMSD bond length | 0.007 |
RMSD bond angle | 1.039 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 30.000 |
High resolution limit [Å] | 1.500 |
Rmerge | 0.110 |
Number of reflections | 18506 |
<I/σ(I)> | 18.4 |
Completeness [%] | 99.7 |
Redundancy | 25.66 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.6 | 0.1 M SODIUM ACETATE, 15% (W/V) SODIUM CHLORIDE, PH 4.6 |