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. |
