Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-06-17 |
Detector | ADSC CCD |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 52.049, 52.049, 248.022 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.860 - 2.500 |
R-factor | 0.188 |
Rwork | 0.188 |
R-free | 0.23600 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.100 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.060 | 0.160 |
Number of reflections | 25627 | |
<I/σ(I)> | 17.89 | |
Completeness [%] | 97.5 | 87.3 |
Redundancy | 2.92 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291 | 15% PEG 4K, 100MM SODIUM CITRATE PH5.6, 10% ISOPROPANOL, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K, pH 5.60 |