Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 113 |
Detector technology | CCD |
Collection date | 2010-02-01 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 131.714, 135.058, 204.249 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.046 - 3.292 |
R-factor | 0.2475 |
Rwork | 0.245 |
R-free | 0.30270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dvl |
RMSD bond length | 0.011 |
RMSD bond angle | 0.781 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.7.3_928) |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 112.656 | 3.420 |
High resolution limit [Å] | 3.292 | 3.292 |
Rmerge | 0.099 | 0.426 |
Number of reflections | 50551 | |
<I/σ(I)> | 10.5 | 1.42 |
Completeness [%] | 91.0 | 51.6 |
Redundancy | 8.35 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 291 | sodium formate, glycerol, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 291K |