2OW2
MMP-9 active site mutant with difluoro butanoic acid inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
Synchrotron site | MPG/DESY, HAMBURG |
Beamline | BW6 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-05-25 |
Detector | MAR CCD 165 mm |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 55.420, 55.420, 260.793 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.730 - 2.900 |
R-factor | 0.215 |
Rwork | 0.215 |
R-free | 0.28500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gkd |
RMSD bond length | 0.006 |
RMSD bond angle | 1.000 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.870 |
High resolution limit [Å] | 2.820 | 2.820 |
Rmerge | 0.122 | 0.475 |
Number of reflections | 9963 | |
<I/σ(I)> | 12.4 | 2.2 |
Completeness [%] | 93.7 | 77.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4 | 293 | 3.0 M NaCl, 0.1 M citric acid, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K, pH 4.0, pH 4.00 |