2O7P
The crystal structure of RibD from Escherichia coli in complex with the oxidised NADP+ cofactor in the active site of the reductase domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-12-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.2836 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 173.000, 173.000, 77.800 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.930 - 3.000 |
R-factor | 0.21496 |
Rwork | 0.212 |
R-free | 0.26653 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2g6v |
RMSD bond length | 0.017 |
RMSD bond angle | 1.784 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.100 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.084 | 0.506 |
Number of reflections | 27042 | |
<I/σ(I)> | 15.6 | 2.5 |
Completeness [%] | 99.8 | 100 |
Redundancy | 8.5 | 8.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 20mM 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES) at pH 7.4, 150mM NaCl, 10mM mercaptoethanol, 10% (v/v) glycerol, 2mM EDTA, 0.1M MES pH 6.5, 3% (v/v) 1,6 Hexandiol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |