5MSU
Structure of the R domain of carboxylic acid reductase (CAR) from Mycobacterium marinum in complex with NADP, P21 form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-17 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 100.540, 58.950, 135.560 |
| Unit cell angles | 90.00, 105.92, 90.00 |
Refinement procedure
| Resolution | 130.360 - 1.740 |
| R-factor | 0.18964 |
| Rwork | 0.188 |
| R-free | 0.21299 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mso |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.407 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 130.360 | 1.800 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.080 | |
| Number of reflections | 156520 | |
| <I/σ(I)> | 11.7 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.7 | |
| CC(1/2) | 1.000 | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | Co-crystals of CARmm Red domain with NADPH were obtained in 0.2 M ammonium tartrate dibasic, 20% PEG3350 (SG P21) |
