4QKZ
X-ray structure of the catalytic domain of MMP-8 with the inhibitor ML115
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Detector technology | PIXEL |
| Collection date | 2013-12-06 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 32.910, 68.690, 70.690 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.260 - 1.200 |
| R-factor | 0.17197 |
| Rwork | 0.170 |
| R-free | 0.19370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dpe |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.522 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.260 | 1.300 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.090 | 0.456 |
| Number of reflections | 45495 | |
| <I/σ(I)> | 10.2 | 2.52 |
| Completeness [%] | 99.2 | 99.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 10 % PEG 6000, 0.2M MES/NAOH, 1M NA PHOSPHATE, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
