5MSR
Structure of the unmodified PCP-R domain of carboxylic acid reductase (CAR) from Segniliparus rugosus in complex with NADPH, P43 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 | 2016-07-16 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9763 |
Spacegroup name | P 43 |
Unit cell lengths | 94.943, 94.943, 335.506 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 200.000 - 2.370 |
R-factor | 0.2198 |
Rwork | 0.219 |
R-free | 0.24127 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mso |
RMSD bond length | 0.008 |
RMSD bond angle | 1.337 |
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 | 2.460 |
High resolution limit [Å] | 2.370 | 2.370 |
Rmerge | 0.130 | |
Number of reflections | 112379 | |
<I/σ(I)> | 6.4 | |
Completeness [%] | 99.0 | 99.5 |
Redundancy | 5.6 | |
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 the condition 0.1 M sodium malonate dibasic monohydrate, 0.1 M HEPES pH 7.0, 0.5% Jeffamine ED-2003. |