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 | 2012-12-22 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 1 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 74.580, 101.030, 108.630 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.516 - 2.400 |
R-factor | 0.2306 |
Rwork | 0.229 |
R-free | 0.26710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3WXV |
RMSD bond length | 0.002 |
RMSD bond angle | 0.531 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.516 | 20.000 | 2.500 |
High resolution limit [Å] | 2.400 | 8.000 | 2.400 |
Rmerge | 0.115 | 0.032 | 1.258 |
Rmeas | 0.130 | 0.036 | 1.432 |
Number of reflections | 32174 | 853 | 3687 |
<I/σ(I)> | 8.55 | 28.36 | 1.23 |
Completeness [%] | 98.1 | 92.5 | 99.4 |
Redundancy | 4.512 | 4.151 | 4.545 |
CC(1/2) | 0.996 | 0.998 | 0.525 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 6 | 293 | PEG 400, potassium citrate, sodium citrate |