4ARF
CRYSTAL STRUCTURE OF THE PEPTIDASE DOMAIN OF COLLAGENASE H FROM CLOSTRIDIUM HISTOLYTICUM IN COMPLEX WITH THE PEPTIDIC INHIBITOR ISOAMYLPHOSPHONYL-GLY-PRO-ALA AT 1.77 ANGSTROM RESOLUTION.
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 | 2011-09-10 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 79.870, 106.780, 51.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.770 |
| R-factor | 0.15272 |
| Rwork | 0.150 |
| R-free | 0.20007 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2y3u |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.147 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.870 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.070 | 0.400 |
| Number of reflections | 42481 | |
| <I/σ(I)> | 10 | 2 |
| Completeness [%] | 97.6 | 86.2 |
| Redundancy | 4.4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.25 | 22.5% PEG3350, 0.15M SODIUM FORMATE, PH 7.25 |
