4L19
Matrix metalloproteinase-13 complexed with selective inhibitor compound Q1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-11-11 |
Detector | PSI PILATUS 6M |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 135.320, 36.029, 95.814 |
Unit cell angles | 90.00, 130.23, 90.00 |
Refinement procedure
Resolution | 47.750 - 1.660 |
R-factor | 0.137 |
Rwork | 0.134 |
R-free | 0.19900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zxh |
RMSD bond length | 0.005 |
RMSD bond angle | 0.939 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.750 | 1.750 |
High resolution limit [Å] | 1.660 | 1.660 |
Number of reflections | 41512 | |
<I/σ(I)> | 15.2 | 2 |
Completeness [%] | 98.5 | 99 |
Redundancy | 3.7 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 277 | 0.1M Tris, 1.5M ammonium formate, 10%-14% PEG4000, 0.017M compound Q1, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |