4D8T
Crystal structure of D-Cysteine desulfhydrase from Salmonella typhimurium at 2.2 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-11-16 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 66.483, 165.450, 69.208 |
Unit cell angles | 90.00, 119.01, 90.00 |
Refinement procedure
Resolution | 29.190 - 2.280 |
R-factor | 0.19137 |
Rwork | 0.189 |
R-free | 0.24182 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j0b |
RMSD bond length | 0.006 |
RMSD bond angle | 1.171 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.450 | 2.330 |
High resolution limit [Å] | 2.210 | 2.210 |
Rmerge | 0.069 | 0.201 |
Number of reflections | 63892 | |
<I/σ(I)> | 11.8 | 5.1 |
Completeness [%] | 98.4 | 90 |
Redundancy | 3.3 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 298 | 1.5M Ammonium sulphate, 15% (v/v) ethylene glycol, 0.1M HEPES, 0.2% Benzamidine, pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |