2JI8
X-ray structure of Oxalyl-CoA decarboxylase in complex with Formyl- CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-09-09 |
Detector | ADSC CCD |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 127.569, 127.569, 152.035 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.000 - 2.150 |
R-factor | 0.191 |
Rwork | 0.189 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2c31 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.294 |
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] | 51.900 | 2.160 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.100 | 0.300 |
Number of reflections | 298530 | |
<I/σ(I)> | 9.3 | 2.2 |
Completeness [%] | 98.6 | 97.5 |
Redundancy | 3.4 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |