5HWG
Structure of a cysteine hydrolase with a negative substrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-11-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 69.291, 69.291, 86.617 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.120 - 1.990 |
R-factor | 0.202 |
Rwork | 0.200 |
R-free | 0.23700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.802 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.990 |
Number of reflections | 17468 |
<I/σ(I)> | 22.3 |
Completeness [%] | 98.9 |
Redundancy | 9.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2M sodium malonate, 20% (w/v) polyethylene glycol 3350 |