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 |