Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 103 |
Detector technology | CCD |
Collection date | 2014-04-04 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.987 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 76.820, 101.950, 126.220 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 79.310 - 2.500 |
R-factor | 0.2283 |
Rwork | 0.227 |
R-free | 0.25910 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.749 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 79.310 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.066 | 0.704 |
Rpim | 0.034 | 0.348 |
Number of reflections | 17357 | 2500 |
<I/σ(I)> | 9.9 | 1.6 |
Completeness [%] | 99.3 | 100 |
Redundancy | 4.7 | |
CC(1/2) | 0.997 | 0.808 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293 | PEG 4000, 1,2,6-trihexanediol |