2C1H
The X-ray Structure of Chlorobium vibrioforme 5-Aminolaevulinic Acid Dehydratase Complexed with a Diacid Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 30 |
Detector technology | CCD |
Collection date | 2004-10-01 |
Detector | ADSC CCD |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 126.480, 126.480, 81.850 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 89.440 - 2.600 |
R-factor | 0.263 |
Rwork | 0.260 |
R-free | 0.32000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1w1z |
RMSD bond length | 0.007 |
RMSD bond angle | 1.034 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 89.000 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.120 | 0.490 |
Number of reflections | 24586 | |
<I/σ(I)> | 5.6 | 1.6 |
Completeness [%] | 91.6 | 94.1 |
Redundancy | 4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | pH 7.50 |