2OW0
MMP-9 active site mutant with iodine-labeled carboxylate 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 | 2005-01-11 |
Detector | MAR CCD 165 mm |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 55.190, 55.190, 260.361 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.970 - 2.000 |
R-factor | 0.227 |
Rwork | 0.227 |
R-free | 0.27100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gkd |
RMSD bond length | 0.007 |
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] | 99.000 | 1.980 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.089 | 0.260 |
Number of reflections | 29623 | |
<I/σ(I)> | 21.7 | 5.2 |
Completeness [%] | 96.5 | 92.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 293 | 4.0 M NaCl, 0.1 M Hepes,VAPOR DIFFUSION, SITTING DROP, temperature 293.0K, pH 8.0, pH 8.00 |