Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-06-25 |
Detector | MAR CCD 165 mm |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 92.022, 198.599, 104.294 |
Unit cell angles | 90.00, 107.76, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.400 |
R-factor | 0.17306 |
Rwork | 0.171 |
R-free | 0.22860 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 0.986 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELX |
Refinement software | REFMAC (5.3.0034) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.090 | 0.880 |
Number of reflections | 140169 | |
<I/σ(I)> | 5.6 | 0.8 |
Completeness [%] | 92.6 | 85.2 |
Redundancy | 2.5 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 22% PEG 8000 PH 7.5, 0.1M AMMONIUM SULFATE, 10% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |