3DAH
2.3 A crystal structure of ribose-phosphate pyrophosphokinase from Burkholderia pseudomallei
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-02 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.00000 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 77.966, 123.242, 197.364 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.930 - 2.300 |
R-factor | 0.208 |
Rwork | 0.206 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dku |
RMSD bond length | 0.009 |
RMSD bond angle | 1.324 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
Rmerge | 0.090 | 0.033 | 0.490 |
Number of reflections | 41722 | ||
<I/σ(I)> | 7.9 | ||
Completeness [%] | 98.0 | 100 | 87.1 |
Redundancy | 6 | 6.4 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.9 | 289 | 20% PEG 3350, 0.2M Magnesium formate, pH 5.9, VAPOR DIFFUSION, temperature 289K |