3AQT
CRYSTAL STRUCTURE OF RolR (NCGL1110) complex WITH ligand RESORCINOL
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2006-12-07 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9795, 0.9797, 0.9644 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 167.120, 167.120, 167.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.500 |
| R-factor | 0.212 |
| Rwork | 0.212 |
| R-free | 0.24500 |
| Structure solution method | MAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.100 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.640 |
| High resolution limit [Å] | 2.170 | 2.500 |
| Rmerge | 0.086 | 0.500 |
| Number of reflections | 26929 | |
| <I/σ(I)> | 7.3 | 3.5 |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 9.5 | 9.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 300 | 2M SODIUM CHLORIDE, pH 4.60, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
