2YIG
MMP13 in complex with a novel selective non zinc binding inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-02 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 134.417, 36.074, 95.206 |
| Unit cell angles | 90.00, 131.49, 90.00 |
Refinement procedure
| Resolution | 67.120 - 1.700 |
| R-factor | 0.18624 |
| Rwork | 0.184 |
| R-free | 0.22055 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.835 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.6.0113) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.120 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.070 | 0.350 |
| Number of reflections | 36370 | |
| <I/σ(I)> | 9.4 | 2.1 |
| Completeness [%] | 95.9 | 95.9 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 10-27% PEG 3350, 1.5 M AMMONIUM FORMATE, 0.1 M TRIS/HCL PH 8.5 |
