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 |
