4D92
Salmonella typhimurium D-Cysteine desulfhydrase soaked with beta-chloro-D-alanine shows pyruvate bound 4 A away from active site
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 | 2010-01-27 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 66.340, 165.460, 67.960 |
Unit cell angles | 90.00, 118.50, 90.00 |
Refinement procedure
Resolution | 58.300 - 2.220 |
R-factor | 0.1783 |
Rwork | 0.176 |
R-free | 0.22219 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4d8t |
RMSD bond length | 0.006 |
RMSD bond angle | 1.125 |
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] | 59.720 | 2.330 |
High resolution limit [Å] | 2.210 | 2.210 |
Rmerge | 0.069 | 0.292 |
Number of reflections | 58457 | |
<I/σ(I)> | 14.4 | 4.2 |
Completeness [%] | 91.6 | 73.7 |
Redundancy | 3.5 | 3.4 |
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 |