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 | CCD |
Collection date | 2004-12-23 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 0.979291, 1.0, 0.979541 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 94.899, 94.563, 158.780 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.280 - 2.350 |
R-factor | 0.199 |
Rwork | 0.199 |
R-free | 0.26000 |
Structure solution method | MAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | CNS (1.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.280 | 2.430 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.120 | 0.368 |
Number of reflections | 29532 | |
<I/σ(I)> | 14 | 2.1 |
Completeness [%] | 97.3 | 78.2 |
Redundancy | 6.1 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.1 | 293 | 25% PEG 3350, 0.2M ammonium acetate, 0.1M MES, pH 7.1, VAPOR DIFFUSION, temperature 293.0K |