3AQS
Crystal structure of RolR (NCGL1110) without ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
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 | 2007-06-18 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.000 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 152.950, 152.950, 117.480 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 93.170 - 3.600 |
R-factor | 0.22 |
Rwork | 0.220 |
R-free | 0.29200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.300 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASES |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 108.460 | 3.790 |
High resolution limit [Å] | 3.600 | 3.600 |
Rmerge | 0.166 | 0.451 |
Number of reflections | 16353 | |
<I/σ(I)> | 13 | 2.9 |
Completeness [%] | 98.1 | 93.8 |
Redundancy | 5.7 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 300 | 3M ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 300K |