Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-08-11 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 0.97928 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.477, 71.470, 123.256 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.623 - 2.511 |
R-factor | 0.189 |
Rwork | 0.186 |
R-free | 0.24700 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 0.908 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 2.590 |
High resolution limit [Å] | 2.500 | 5.380 | 2.500 |
Rmerge | 0.088 | 0.067 | 0.289 |
Number of reflections | 36943 | ||
<I/σ(I)> | 31.776 | ||
Completeness [%] | 94.2 | 99.1 | 78.1 |
Redundancy | 6.7 | 6.8 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 1.0 M Sodium acetate, 0.1 M Imidazole pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |