5MSD
Structure of the A domain of carboxylic acid reductase (CAR) from Nocardia iowensis in complex with AMP and benzoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-11-29 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 1 |
| Unit cell lengths | 52.650, 54.499, 66.365 |
| Unit cell angles | 93.37, 97.68, 102.44 |
Refinement procedure
| Resolution | 29.061 - 1.710 |
| R-factor | 0.1818 |
| Rwork | 0.180 |
| R-free | 0.21460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5msc |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.201 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 29.061 |
| High resolution limit [Å] | 1.710 |
| Rmerge | 0.060 |
| Number of reflections | 63656 |
| <I/σ(I)> | 9.1 |
| Completeness [%] | 95.0 |
| Redundancy | 2.1 |
| CC(1/2) | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | Crystals of A domain CARni (30mg/ml) were obtained using the sitting-drop vapour-diffusion and grew within 7 days at 4 degrees in 0.12 M ethylene glycols 0.1 M Tris-Bicine pH 8.5 30% glycerol/PEG 4K |
