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 |