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 | 2012-05-16 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.910 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 152.728, 59.828, 68.034 |
Unit cell angles | 90.00, 91.34, 90.00 |
Refinement procedure
Resolution | 33.626 - 2.450 |
R-factor | 0.1903 |
Rwork | 0.186 |
R-free | 0.22730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vvn |
RMSD bond length | 0.004 |
RMSD bond angle | 0.774 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.440 |
High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
Rmerge | 0.238 | 0.059 | |
Number of reflections | 22898 | ||
<I/σ(I)> | 5.1 | ||
Completeness [%] | 95.3 | 99.4 | 68.9 |
Redundancy | 15 | 14.4 | 13.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | lipdic cubic phase | 8 | 293 | 30% PEG 400, 100mM Tris-HCl, 20mM CaCl2, 100mM NaSCN, pH 8.0, lipdic cubic phase, temperature 293K |