5UWM
Matrix metalloproteinase-13 complexed with selective inhibitor compound (R)-17a
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 | H 3 |
| Unit cell lengths | 140.073, 140.073, 46.860 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.770 - 1.620 |
| R-factor | 0.1311 |
| Rwork | 0.129 |
| R-free | 0.17790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4l19 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.987 |
| 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] | 32.770 | 1.710 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rpim | 0.046 | 0.430 |
| Number of reflections | 43442 | 6358 |
| <I/σ(I)> | 13.2 | 2 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | 0.2 M lithium sulfate 0.1 M Tris:HCl pH 8.5, 30% polyethylene glycol 4000 |
