3BXG
Crystal structure of effector binding domain of central glycolytic gene regulator (CggR) from Bacillus subtilis in complex with glucose-6-phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-20 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97900 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.494, 83.806, 113.583 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.270 - 1.800 |
| R-factor | 0.18266 |
| Rwork | 0.180 |
| R-free | 0.23281 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2okg |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.447 |
| 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] | 49.800 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.489 | |
| Number of reflections | 49657 | |
| <I/σ(I)> | 24.1 | 1.9 |
| Completeness [%] | 99.0 | 90.9 |
| Redundancy | 6.7 | 3.2 |
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 glucose-6-phosphate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
