7WSS
Collagenase from Grimontia (Vibrio) hollisae 1706B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-23 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.00000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 182.939, 75.120, 135.148 |
Unit cell angles | 90.00, 128.18, 90.00 |
Refinement procedure
Resolution | 44.480 - 2.190 |
R-factor | 0.188 |
Rwork | 0.186 |
R-free | 0.22720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | AlphaFold2 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.820 |
Data reduction software | XDS (ver. Feb 5, 2021) |
Data scaling software | XDS (ver. Feb 5, 2021) |
Phasing software | MOLREP (11. 7. 01) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.320 |
High resolution limit [Å] | 2.190 | 2.190 |
Rmerge | 0.075 | 0.750 |
Rmeas | 0.088 | 0.880 |
Number of reflections | 72941 | 11564 |
<I/σ(I)> | 13.3 | 2.05 |
Completeness [%] | 98.0 | 97.2 |
Redundancy | 4.26 | 3.61 |
CC(1/2) | 0.998 | 0.779 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.2 M Calcium acetate, 0.1 M MES/ Sodium hydroxide pH 6.0, 20% (w/v) Polyethylene glycol 8000 |