1UTZ
Crystal Structure of MMP-12 complexed to (2R)-3-({[4-[(pyridin-4-yl)phenyl]-thien-2-yl}carboxamido)(phenyl)propanoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Collection date | 2002-07-15 |
Detector | RIGAKU-MSC RAXIS IV++ |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 123.224, 123.224, 168.200 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.500 |
Rwork | 0.224 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jk3 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.231 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNX (2001) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.000 | 2.560 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.143 | 0.446 |
Number of reflections | 26781 | |
<I/σ(I)> | 13.22 | 4.1 |
Completeness [%] | 99.6 | 99.8 |
Redundancy | 6.98 | 6.46 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 293 | 0.1M IMIDAZOLE PH 8.0, 2.0-2.5M NACL, 20 C |