Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X13 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-03-23 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.8088 |
Spacegroup name | P 61 |
Unit cell lengths | 136.262, 136.262, 90.735 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.650 - 2.351 |
R-factor | 0.1998 |
Rwork | 0.198 |
R-free | 0.24030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vo4 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.304 |
Data reduction software | XDS (December 2013) |
Data scaling software | XSCALE (December 2013) |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.700 | 2.490 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.084 | |
Number of reflections | 39774 | |
<I/σ(I)> | 12.7 | |
Completeness [%] | 99.6 | 99.5 |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | TRI-SODIUM CITRATE 1.2-1.3M IN HEPES BUFFER 0.1M, PH7.4 |