Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2002-11-27 |
Detector | RIGAKU RAXIS V |
Wavelength(s) | 0.8, 0.97884, 0.97934, 0.984 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 85.878, 106.367, 168.639 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.800 |
R-factor | 0.1816 |
Rwork | 0.182 |
R-free | 0.20000 |
Structure solution method | MAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.270 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 139102 | |
Completeness [%] | 97.0 | 91.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.1 | 295 | PEG 4K, 0.1M Tris HCl, 1M Lithium Chlorate, MICROBATCH, temperature 295.0K, pH 8.10 |