5O7E
Crystal structure of the peptidase domain of collagenase H from Clostridium histolyticum in complex with N-aryl mercaptoacetamide-based inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-09-27 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.976 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.304, 79.677, 56.959 |
Unit cell angles | 90.00, 91.23, 90.00 |
Refinement procedure
Resolution | 46.330 - 1.870 |
R-factor | 0.1922 |
Rwork | 0.190 |
R-free | 0.22640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4arf |
RMSD bond length | 0.004 |
RMSD bond angle | 0.818 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.3_1479) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 46.330 |
High resolution limit [Å] | 1.870 |
Number of reflections | 37834 |
<I/σ(I)> | 8.8 |
Completeness [%] | 99.5 |
Redundancy | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 293.15 | polyethylene glycol methyl ether 2000, NaCl, MES |