4D97
Salmonella typhimurium D-Cysteine desulfhydrase with D-ser bound at active site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-19 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.445, 165.289, 68.706 |
| Unit cell angles | 90.00, 118.71, 90.00 |
Refinement procedure
| Resolution | 29.130 - 1.770 |
| R-factor | 0.21723 |
| Rwork | 0.216 |
| R-free | 0.24771 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4d8t |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.096 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.800 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.089 | 0.678 |
| Number of reflections | 124064 | |
| <I/σ(I)> | 28.14 | 1.83 |
| Completeness [%] | 99.2 | 94.3 |
| Redundancy | 7.4 | 5.6 |
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, 10mM D-ser, pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
