5UWK
Matrix metalloproteinase-13 complexed with selective inhibitor compound (S)-10a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-11-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.784, 57.155, 120.564 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.646 - 1.600 |
| R-factor | 0.1501 |
| Rwork | 0.148 |
| R-free | 0.19890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4l19 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.101 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 120.560 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rpim | 0.035 | 0.430 |
| Number of reflections | 42491 | 6124 |
| <I/σ(I)> | 15.3 | 1.9 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 3.9 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | 0.2 M magnesium chloride, 0.1 M Tris:HCl pH 8.5, 25% PEG 3350 |
