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 |