3UVC
MMP12 in a complex with the dimeric adduct: 5-(5-phenylhydantoin)-5-phenylhydantoin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.072250 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.746, 60.625, 58.403 |
| Unit cell angles | 90.00, 103.10, 90.00 |
Refinement procedure
| Resolution | 41.487 - 1.300 |
| R-factor | 0.1324 |
| Rwork | 0.130 |
| R-free | 0.17360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | internal model: V108-L261 no metal ions. |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.465 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.487 | 41.487 | 1.370 |
| High resolution limit [Å] | 1.300 | 4.110 | 1.300 |
| Rmerge | 0.080 | 0.042 | 0.635 |
| Total number of observations | 6326 | 17933 | |
| Number of reflections | 65111 | ||
| <I/σ(I)> | 6.9 | 14.9 | 1.2 |
| Completeness [%] | 98.2 | 96.3 | 89.1 |
| Redundancy | 2.8 | 3 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 50mM imidazole pH 7.5, 200-400mM CaCl, 20% PEG 1k, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
