Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.6 |
Synchrotron site | SRS |
Beamline | PX9.6 |
Temperature [K] | 290 |
Detector technology | IMAGE PLATE |
Detector | MAR scanner 300 mm plate |
Spacegroup name | I 2 3 |
Unit cell lengths | 345.000, 345.000, 345.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 12.000 - 1.900 |
R-factor | 0.161 |
Rwork | 0.161 |
Structure solution method | OTHER |
Starting model (for MR) | 1btt |
RMSD bond length | 0.013 |
RMSD bond angle | 1.900 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 12.000 | |
High resolution limit [Å] | 1.900 | |
Rmerge | 0.143 | |
Number of reflections | 2070213 | |
Completeness [%] | 91.0 | 77.4 * |
Redundancy | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Microdialysis * | 7.6 * | pH 7.50 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | ammonium sulfate | ||
2 | 1 | 1 | sodium phosphate | 0.1 (M) |