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 |
