3OHO
catalytic domain of stromelysin-1 in complex with N-Hydroxy-2-(4-methylphenylsulfonamido)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 | 2008-05-02 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.542 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 56.482, 121.044, 46.872 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.600 - 2.500 |
R-factor | 0.25512 |
Rwork | 0.255 |
R-free | 0.26448 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1b8y |
RMSD bond length | 0.007 |
RMSD bond angle | 0.782 |
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] | 25.600 |
High resolution limit [Å] | 2.500 |
Rmerge | 0.065 |
Number of reflections | 5809 |
<I/σ(I)> | 26.6 |
Redundancy | 3.6 |
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, 26% PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 293K |