4D8U
Crystal structure of D-Cysteine desulfhydrase from Salmonella typhimurium at 3.3 A in monoclinic space group with 8 subunits in the asymmetric unit
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-02-20 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 181.463, 158.140, 181.925 |
Unit cell angles | 90.00, 94.10, 90.00 |
Refinement procedure
Resolution | 52.040 - 3.300 |
R-factor | 0.24756 |
Rwork | 0.246 |
R-free | 0.27462 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4d8t |
RMSD bond length | 0.015 |
RMSD bond angle | 1.690 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 90.660 | 3.480 |
High resolution limit [Å] | 3.300 | 3.300 |
Rmerge | 0.123 | 0.425 |
Number of reflections | 69703 | |
<I/σ(I)> | 6.7 | 2 |
Completeness [%] | 90.7 | 87.9 |
Redundancy | 2.4 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Microbatch method under oil | 8.2 | 298 | 1.8M Na/K Phosphate pH 8.2, Microbatch method under oil, temperature 298K |