3IVR
CRYSTAL STRUCTURE OF PUTATIVE long-chain-fatty-acid CoA ligase FROM Rhodopseudomonas palustris CGA009
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2009-08-19 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 127.624, 97.213, 95.077 |
| Unit cell angles | 90.00, 102.04, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.17397 |
| Rwork | 0.173 |
| R-free | 0.21737 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.264 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.3.0034) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.950 | |
| Number of reflections | 76210 | |
| <I/σ(I)> | 5.7 | 0.5 |
| Completeness [%] | 95.0 | 69.5 |
| Redundancy | 2.1 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294 | 0.1M BIS-TRIS, PH 6.5, 25% PEG3350, 200MM MAGNESIUM CHLORIDE, 10% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |
