1V5G
Crystal Structure of the Reaction Intermediate between Pyruvate oxidase containing FAD and TPP, and Substrate Pyruvate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-18B |
Synchrotron site | Photon Factory |
Beamline | BL-18B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-10-25 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 78.010, 105.500, 155.850 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.960 |
R-factor | 0.195 |
Rwork | 0.195 |
R-free | 0.24400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pox |
RMSD bond length | 0.005 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.960 | 1.990 |
High resolution limit [Å] | 1.920 | 1.920 |
Rmerge | 0.082 | 0.298 |
Number of reflections | 47691 | |
<I/σ(I)> | 6.5 | |
Completeness [%] | 96.5 | 98.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | Ammonium sulphate, Thiamine pyrophosphate, Magnesium cloride, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |