3K9W
Crystal structure of phosphopantetheine adenylyltransferase from Burkholderia pseudomallei with hydrolyzed 3'-dephospho Coenzyme A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-09-18 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 0.97953 |
Spacegroup name | I 4 3 2 |
Unit cell lengths | 134.431, 134.431, 134.431 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.360 - 1.600 |
R-factor | 0.192 |
Rwork | 0.191 |
R-free | 0.20690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3IKZ |
RMSD bond length | 0.008 |
RMSD bond angle | 1.193 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.067 | 0.555 |
Number of reflections | 27383 | |
<I/σ(I)> | 32.8 | 3.98 |
Completeness [%] | 99.0 | 100 |
Redundancy | 10.7 | 9.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 289 | CSHT condition F1: 0.2 M ammonium sulfate, 0.1 M NaOAc pH 4.6, 30% PEG MME 2000, 20% EG as cryo-protectant, 19.2 mg/mL protein in 25 mM Hepes pH 7.0, 0.3 M NaCl, 10% glycerol, 5 mM DTT, crystal tracking ID 204963f1, VAPOR DIFFUSION, SITTING DROP, temperature 289K |