5MSV
Structure of the phosphopantetheine modified PCP-R didomain of carboxylic acid reductase (CAR) 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 | 2016-10-04 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9763 |
Spacegroup name | P 43 |
Unit cell lengths | 92.110, 92.110, 363.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 200.000 - 2.340 |
R-factor | 0.19223 |
Rwork | 0.191 |
R-free | 0.20750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mso |
RMSD bond length | 0.008 |
RMSD bond angle | 1.367 |
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] | 200.000 | 2.420 |
High resolution limit [Å] | 2.340 | 2.340 |
Rmerge | 0.120 | |
Number of reflections | 120649 | |
<I/σ(I)> | 11.3 | |
Completeness [%] | 95.0 | 92.3 |
Redundancy | 6.8 | |
CC(1/2) | 1.000 | 0.500 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | CARsr PCP-Red crystals were obtained in 0.1 M carboxylic acids 0.1M, Buffer system 1 pH 6.5, 50% Precipitant Mix 2 of Morpheus screen. |