3OHL
catalytic domain of stromelysin-1 in complex with N-Hydroxy-2-(4-methoxy-N-(pyridine-3-ylmethyl)phenylsulfonamido)acetamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-15 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.542 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 56.964, 120.512, 46.627 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.310 - 2.360 |
| R-factor | 0.26236 |
| Rwork | 0.261 |
| R-free | 0.28337 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1b8y |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.824 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0079) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.360 |
| Rmerge | 0.062 |
| Number of reflections | 6909 |
| <I/σ(I)> | 21.3 |
| Redundancy | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M (NH4)2SO4, 0.1 M Na-cacodylate, pH 6.5, 29% PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
