Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL38B1 |
Synchrotron site | SPring-8 |
Beamline | BL38B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-11-23 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 84.751, 39.198, 84.200 |
Unit cell angles | 90.00, 117.68, 90.00 |
Refinement procedure
Resolution | 36.144 - 1.830 |
R-factor | 0.1763 |
Rwork | 0.174 |
R-free | 0.20880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3aj3 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.122 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.053 | 0.405 |
Number of reflections | 21861 | |
<I/σ(I)> | 19.7 | 5.65 |
Completeness [%] | 99.8 | 99.7 |
Redundancy | 6.1 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 30% PEG4000, 0.2M ammonium acetate, 0.1M sodium acetate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |