5MSS
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 | 2016-07-15 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9763 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 59.719, 127.693, 212.244 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 106.120 - 1.960 |
| R-factor | 0.20657 |
| Rwork | 0.204 |
| R-free | 0.25421 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5msq |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.900 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 106.120 | 2.030 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.080 | |
| Number of reflections | 58078 | |
| <I/σ(I)> | 10.2 | |
| Completeness [%] | 99.0 | 99.5 |
| Redundancy | 4.86 | |
| CC(1/2) | 1.000 | 0.600 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | CARsr Ade-PCP (thiolation state) crystals were grown in 1.5 M Lithium Sulphate and 0.1 M HePES pH 7.5. |
