Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-12 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 1.00 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 199.166, 199.166, 117.736 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.400 |
R-factor | 0.2014 |
Rwork | 0.200 |
R-free | 0.22010 |
Structure solution method | SAD |
RMSD bond length | 0.021 |
RMSD bond angle | 1.806 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SHELXCD |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.490 |
High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
Rmerge | 0.101 | 0.030 | 0.860 |
Total number of observations | 1184361 | ||
Number of reflections | 53708 | 5746 | 5286 |
<I/σ(I)> | 7.3 | ||
Completeness [%] | 99.6 | 99.9 | 99.4 |
Redundancy | 22.1 | 21.1 | 21 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 277 | 2.0M Ammonium Sulfate, 0.1M Sodium Acetate |
1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 277 | 2.0M Ammonium Sulfate, 0.1M Sodium Acetate |