3BXF
Crystal structure of effector binding domain of central glycolytic gene regulator (CggR) from Bacillus subtilis in complex with effector fructose-1,6-bisphosphate
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 | 2007-12-11 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97900 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.447, 83.245, 116.457 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.640 - 1.700 |
| R-factor | 0.2035 |
| Rwork | 0.201 |
| R-free | 0.25678 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2okg |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.398 |
| 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] | 23.940 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.073 | 0.660 |
| Number of reflections | 50944 | |
| <I/σ(I)> | 21.86 | 2 |
| Completeness [%] | 91.4 | 94.2 |
| Redundancy | 4.7 | 4.2 |
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 90mM fructose-1,6-bisphosphate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
