Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-11 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9794 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 86.380, 89.719, 111.293 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.300 |
R-factor | 0.22861 |
Rwork | 0.226 |
R-free | 0.27364 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qno |
RMSD bond length | 0.007 |
RMSD bond angle | 1.067 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.300 |
High resolution limit [Å] | 2.260 | 2.260 |
Rmerge | 0.056 | 0.315 |
Number of reflections | 18610 | |
Completeness [%] | 90.2 | 74 |
Redundancy | 7 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 80mM NaAc pH 4.6, 1.6M ammonia sulfate, 6% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 293K |