2WDO
Crystal structure of the S. coelicolor AcpS in complex with acetyl- CoA at 1.5 A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 72.833, 72.833, 72.833 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.500 - 1.560 |
| R-factor | 0.204 |
| Rwork | 0.202 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jbz |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.533 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.620 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rmerge | 0.060 | 0.380 |
| Number of reflections | 18659 | |
| <I/σ(I)> | 32 | 2.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.4 | 9.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.2 M LITHIUM SULPHATE, 25% PEG 2K MME, 0.1 M SODIUM CACODYLATE PH 6.5 |
