3BXE
Crystal structure of effector binding domain of central glycolytic gene regulator (CggR) from Bacillus subtilis in complex with dihydroxyacetone phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ DW |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-03-03 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.537, 83.822, 113.712 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.900 - 1.800 |
R-factor | 0.17899 |
Rwork | 0.177 |
R-free | 0.21538 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2okg |
RMSD bond length | 0.011 |
RMSD bond angle | 1.234 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.3.0037) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.900 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.060 | 0.510 |
Number of reflections | 49172 | |
<I/σ(I)> | 38.7 | 2.1 |
Completeness [%] | 99.2 | 95.6 |
Redundancy | 4.9 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 298 | Reservoir: 0.2M Ammonium formate pH 6.6, 20% (w/v) PEG 3350. 25mg/ml protein with 10mM glyceraldehyde-3-phosphate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |