7Z5U
Crystal structure of the peptidase domain of collagenase G from Clostridium histolyticum in complex with a hydroxamate-based inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-10 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.306, 78.385, 96.411 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.460 - 1.800 |
Rwork | 0.180 |
R-free | 0.20730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2y6i |
RMSD bond length | 0.014 |
RMSD bond angle | 1.105 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.460 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.040 | |
Number of reflections | 38367 | 3832 |
<I/σ(I)> | 11.09 | |
Completeness [%] | 90.5 | 91.91 |
Redundancy | 1.9 | |
CC(1/2) | 0.998 | 0.773 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | Tris-Bicine pH 8.5,pentaethylene glycol, diethylene glycol, triethylene glycol,tetraethylene glycol, PEG 20,000 and PEG 550 MME |