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 |
