2WDY
Crystal structure of the Streptomyces coelicolor D111A AcpS mutant in complex with cofactor CoA at 1.4 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 |
| Collection date | 2008-02-11 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 72.831, 72.831, 72.831 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.500 - 1.400 |
| R-factor | 0.19011 |
| Rwork | 0.189 |
| R-free | 0.21498 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jbz |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.271 |
| 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 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.050 | 0.510 |
| Number of reflections | 25707 | |
| <I/σ(I)> | 34.7 | 1.5 |
| Completeness [%] | 99.6 | 96.4 |
| Redundancy | 7.9 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.2 M POTASSIUM THIOCYANATE, 0.1 M SODIUM CACODYLATE PH 6.5, 8% PEG 20K PLUS 8% PEG 550 MME, 15% GLYCEROL WAS THEN ADDED AS CRYO |
