2JI9
X-ray structure of Oxalyl-CoA decarboxylase in complex with 3-deaza- ThDP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-03-10 |
Detector | ADSC CCD |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 127.721, 127.721, 152.417 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.200 |
R-factor | 0.179 |
Rwork | 0.177 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2c31 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.264 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.890 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.140 | 0.430 |
Number of reflections | 71716 | |
<I/σ(I)> | 14.5 | 2.4 |
Completeness [%] | 97.8 | 87.8 |
Redundancy | 10.7 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |