4JPA
Mmp13 in complex with a piperazine hydantoin ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E DW |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-10-20 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 134.771, 35.986, 101.492 |
Unit cell angles | 90.00, 134.99, 90.00 |
Refinement procedure
Resolution | 35.900 - 2.000 |
R-factor | 0.18002 |
Rwork | 0.177 |
R-free | 0.22980 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.207 |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 35.900 |
High resolution limit [Å] | 2.000 |
Number of reflections | 23627 |
Completeness [%] | 94.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 292 | 27.5% PEG 4000 1.25M AmFormate, 100mM TrisHCl pH 8.5 , VAPOR DIFFUSION, HANGING DROP, temperature 292K |