1T5D
4-Chlorobenzoyl-CoA Ligase/Synthetase bound to 4-chlorobenzoate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 113 |
Detector technology | IMAGE PLATE |
Collection date | 2003-08-12 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 124.979, 124.979, 69.001 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.410 - 2.206 |
R-factor | 0.18067 |
Rwork | 0.178 |
R-free | 0.22313 |
Structure solution method | MAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.203 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SnB |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.410 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.066 | 0.373 |
Number of reflections | 30276 | |
<I/σ(I)> | 13.6 | |
Completeness [%] | 96.1 | 78.5 |
Redundancy | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 277 | 6-8% PEG 4000;10% glycerol; 0.25 M CaCl2; 50 mM CHES, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |