4D96
D-Cysteine desulfhydrase from Salmonella typhimurium complexed with 1-amino-1-carboxycyclopropane (ACC)
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 | 66.590, 165.350, 68.920 |
Unit cell angles | 90.00, 119.01, 90.00 |
Refinement procedure
Resolution | 48.700 - 2.090 |
R-factor | 0.21741 |
Rwork | 0.215 |
R-free | 0.26407 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4d8t |
RMSD bond length | 0.006 |
RMSD bond angle | 1.237 |
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] | 55.120 | 2.180 |
High resolution limit [Å] | 2.070 | 2.070 |
Rmerge | 0.077 | 0.219 |
Number of reflections | 70270 | |
<I/σ(I)> | 11.4 | 4.8 |
Completeness [%] | 88.6 | 78.2 |
Redundancy | 3.6 | 3.5 |
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 Amino carboxy cyclopropane (ACC), pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |