2C31
CRYSTAL STRUCTURE OF OXALYL-COA DECARBOXYLASE IN COMPLEX WITH THE COFACTOR DERIVATIVE THIAMIN-2-THIAZOLONE DIPHOSPHATE AND ADENOSINE DIPHOSPHATE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-07-14 |
Detector | MARRESEARCH |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 124.300, 124.300, 151.700 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.200 - 1.730 |
R-factor | 0.1505 |
Rwork | 0.150 |
R-free | 0.17490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jsc |
RMSD bond length | 0.007 |
RMSD bond angle | 1.293 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.240 | 1.820 |
High resolution limit [Å] | 1.730 | 1.730 |
Rmerge | 0.100 | 0.490 |
Number of reflections | 140751 | |
<I/σ(I)> | 17.9 | 3.8 |
Completeness [%] | 99.8 | 100 |
Redundancy | 7.1 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 27V/V % PEG 550MME, 100MM BIS-TRIS PH 6.5, 50MM CACL2 |