Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-10-05 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.882, 234.947, 104.540 |
Unit cell angles | 90.00, 90.55, 90.00 |
Refinement procedure
Resolution | 46.930 - 2.850 |
R-factor | 0.265 |
Rwork | 0.263 |
R-free | 0.30300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.091 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC (5.5.0102) |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.950 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.062 | 0.832 |
Number of reflections | 52648 | |
<I/σ(I)> | 14.4 | |
Completeness [%] | 98.1 | 85.5 |
Redundancy | 4 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | vapor diffusion, sitting drops | 6.8 | 298 | 11% PEG 8000, 9% DMSO, 0.02M SODIUM CACODYLATE, 0.02M MAGNESIUM CHLORIDE, 0.15M POTASSIUM CHLORIDE, pH 6.8, vapor diffusion, sitting drops, temperature 298K |