5MSO
Structure of the R domain of carboxylic acid reductase (CAR) from Mycobacterium marinum in complex with NADP
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 | C 2 2 21 |
| Unit cell lengths | 62.242, 136.156, 115.488 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 115.490 - 1.200 |
| R-factor | 0.13573 |
| Rwork | 0.135 |
| R-free | 0.15198 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dqv |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.587 |
| 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] | 115.490 | 1.240 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.040 | |
| Number of reflections | 143907 | |
| <I/σ(I)> | 18 | |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 3.9 | |
| CC(1/2) | 1.000 | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | Co-crystals of CARmm Red domain with NADP were obtained in 0.2 M sodium sulphate, 0.1 M Bis-Tris-propane pH 6.5, 20% PEG3350 |
