2JI7
X-ray structure of Oxalyl-CoA decarboxylase with covalent reaction intermediate
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 | 2006-09-09 |
Detector | ADSC CCD |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 126.181, 126.181, 151.938 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 1.820 |
R-factor | 0.151 |
Rwork | 0.150 |
R-free | 0.17600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2c31 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.425 |
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] | 76.000 | 1.920 |
High resolution limit [Å] | 1.820 | 1.820 |
Rmerge | 0.090 | 0.480 |
Number of reflections | 124184 | |
<I/σ(I)> | 10.2 | 2 |
Completeness [%] | 99.2 | 99.9 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |