5MSP
Structure of the unmodified PCP-R didomain of carboxylic acid reductase (CAR) from Segniliparus rugosus in complex with NADP, F2221 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 | 2016-07-19 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9763 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 135.370, 137.680, 202.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 101.040 - 2.410 |
| R-factor | 0.18117 |
| Rwork | 0.179 |
| R-free | 0.22697 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mso |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.912 |
| 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] | 101.040 | 2.500 |
| High resolution limit [Å] | 2.410 | 2.410 |
| Rmerge | 0.110 | |
| Number of reflections | 36214 | |
| <I/σ(I)> | 8 | |
| Completeness [%] | 99.0 | 99.5 |
| Redundancy | 5.4 | |
| CC(1/2) | 1.000 | 0.600 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | CARsr PCP-Red crystals were obtained in 0.1 M sodium malonate dibasic monohydrate, 0.1 M HEPES pH 7.0, 0.5% Jeffamine ED-2003. |
