2Q28
Crystal structure of oxalyl-coA decarboxylase from Escherichia coli in complex with adenosine-5`-diphosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X12 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-12-07 |
Detector | MAR CCD 225 mm |
Wavelength(s) | 0.93001 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 132.270, 143.620, 147.580 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.610 - 1.740 |
R-factor | 0.178 |
Rwork | 0.177 |
R-free | 0.19600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.397 |
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 | 1.770 |
High resolution limit [Å] | 1.740 | 4.720 | 1.740 |
Rmerge | 0.104 | 0.028 | 0.867 |
Number of reflections | 143107 | ||
<I/σ(I)> | 8.5 | ||
Completeness [%] | 99.9 | 98.6 | 100 |
Redundancy | 7.2 | 7.1 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 281 | 1.75M ammonium sulfate, 0.005M adenosine diphosphate, 0.0025M thiamine diphosphate, 0.0025 mM magnesium sulfate, pH 6.5, vapor diffusion, hanging drop, temperature 281K |