Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL32XU |
Synchrotron site | SPring-8 |
Beamline | BL32XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-23 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 1 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 92.663, 194.443, 74.384 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.940 - 2.790 |
R-factor | 0.2238 |
Rwork | 0.221 |
R-free | 0.27710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e6j 1fdl |
RMSD bond length | 0.002 |
RMSD bond angle | 0.488 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.850 |
High resolution limit [Å] | 2.750 | 5.910 | 2.750 |
Rmerge | 0.171 | 0.068 | |
Total number of observations | 131713 | ||
Number of reflections | 17815 | 1861 | 1745 |
<I/σ(I)> | 4.5 | ||
Completeness [%] | 99.7 | 98.1 | 100 |
Redundancy | 7.4 | 7 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 8 | 293 | PEG 400, magnesium sulphate, bicine |