2OVX
MMP-9 active site mutant with barbiturate 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 | 2004-06-28 |
Detector | MAR CCD 165 mm |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 55.230, 55.230, 259.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.640 - 2.000 |
R-factor | 0.217 |
Rwork | 0.217 |
R-free | 0.24800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gkd |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
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] | 99.000 | 1.980 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.103 | 0.395 |
Number of reflections | 29659 | |
<I/σ(I)> | 13.2 | 2.1 |
Completeness [%] | 96.7 | 95.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5 | 293 | 3.0 M NaCl, 0.1 M citric acid, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 5.00 |