5MSW
Structure of the A-PCP didomain of carboxylic acid reductase (CAR) from Segniliparus rugosus in complex with AMP
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 | 2016-07-20 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9763 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 131.420, 65.330, 101.710 |
| Unit cell angles | 90.00, 110.80, 90.00 |
Refinement procedure
| Resolution | 95.080 - 2.330 |
| R-factor | 0.19602 |
| Rwork | 0.194 |
| R-free | 0.24337 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5msq |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.717 |
| 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] | 95.080 | 2.410 |
| High resolution limit [Å] | 2.330 | 2.330 |
| Rmerge | 0.090 | |
| Number of reflections | 34371 | |
| <I/σ(I)> | 10.9 | |
| Completeness [%] | 99.0 | |
| Redundancy | 2.8 | |
| CC(1/2) | 1.000 | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | A-PCP crystals were obtained in 0.2 M sodium fluoride, 0.1 M Bis-Tris Propane pH 6.5 and 20% PEG3350. |
