6EOX
Crystal structure of MMP12 in complex with carboxylic inhibitor LP165.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-11-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979696 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 51.160, 59.860, 53.940 |
Unit cell angles | 90.00, 115.73, 90.00 |
Refinement procedure
Resolution | 48.590 - 1.300 |
R-factor | 0.145 |
Rwork | 0.142 |
R-free | 0.17900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4h76 |
RMSD bond length | 0.072 |
RMSD bond angle | 1.649 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.000 | 1.380 |
High resolution limit [Å] | 1.300 | 1.300 |
Number of reflections | 28894 | |
<I/σ(I)> | 14.42 | 1.02 |
Completeness [%] | 79.7 | 31.8 |
Redundancy | 4.14 | 3.68 |
CC(1/2) | 0.999 | 0.343 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | Drop: 1 micro-L (hMMP-12 at 855 micro-M + 1 milli-M hydroxamic acid + 1 milli-M LP165) and 1 micro-L reservoir solution. Precipitant: 17% PEG 20K, 0.2M imidazole malate 250mM NaCl, pH 8.5. Cryoprotection: 40% MPEG 5K, 10% 1,2-propanediol, 10% AAB (sodium acetate, ADA, bicine: 90% basic/10% acid), pH 8.0 |