2G39
Crystal structure of coenzyme A transferase from Pseudomonas aeruginosa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-11-03 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97932 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 171.356, 69.806, 113.244 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.100 |
R-factor | 0.16242 |
Rwork | 0.162 |
R-free | 0.20356 |
Structure solution method | SAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.527 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.124 | 0.586 |
Number of reflections | 79199 | |
<I/σ(I)> | 19.4 | 3.17 |
Completeness [%] | 99.1 | 96.9 |
Redundancy | 6.9 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 289 | 4M Ammonium Acetate, 0.1M NaAcetate pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 289K |