1T5H
4-Chlorobenzoyl-CoA Ligase/Synthetase unliganded, selenomethionine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 113 |
| Detector technology | CCD |
| Collection date | 2003-07-14 |
| Detector | BRANDEIS - B4 |
| Wavelength(s) | 0.950038 |
| 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 | 25.000 - 2.002 |
| R-factor | 0.18428 |
| Rwork | 0.183 |
| R-free | 0.20578 |
| Structure solution method | MAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.062 |
| 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] | 25.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.085 | 0.516 |
| Number of reflections | 41528 | |
| <I/σ(I)> | 9.1 | |
| Completeness [%] | 100.0 | 99.7 |
| Redundancy | 5.6 | 5.2 |
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 |
