2Q29
Crystal structure of oxalyl-coA decarboxylase from Escherichia coli in complex with acetyl coenzyme A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-02-16 |
Detector | MAR CCD 225 mm |
Wavelength(s) | 0.9785 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 132.570, 145.530, 147.190 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.300 - 1.820 |
R-factor | 0.175 |
Rwork | 0.175 |
R-free | 0.19400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.443 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 99.000 | 99.000 | 1.850 |
High resolution limit [Å] | 1.820 | 4.940 | 1.820 |
Rmerge | 0.052 | 0.032 | 0.257 |
Number of reflections | 126889 | ||
<I/σ(I)> | 14.6 | ||
Completeness [%] | 100.0 | 99.8 | 99.9 |
Redundancy | 7.2 | 7.1 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 281 | 6% PEG4000, 0.2M sodium acetate. 0.0025M thiamine diphosphate, 0.0025M magnesium sulfate, 0.001M acetyl coenzyme A, VAPOR DIFFUSION, HANGING DROP, temperature 281K |