4GUY
Human MMP12 catalytic domain in complex with*N*-Hydroxy-2-(2-(4-methoxyphenyl)ethylsulfonamido)acetamide
Replaces: 3RTUExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-12 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.5406 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 50.989, 61.107, 54.213 |
| Unit cell angles | 90.00, 114.50, 90.00 |
Refinement procedure
| Resolution | 30.560 - 2.000 |
| R-factor | 0.23324 |
| Rwork | 0.227 |
| R-free | 0.29268 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y93 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.696 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.560 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.146 | 0.383 |
| Number of reflections | 10122 | |
| <I/σ(I)> | 5 | 2.3 |
| Completeness [%] | 98.2 | 87.9 |
| Redundancy | 4.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 0.1M TRIS-HCL, 30% PEG 6000, 1M LICL, PH 8.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K |
