Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-11 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 77.228, 77.228, 122.346 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.780 - 2.000 |
R-factor | 0.16732 |
Rwork | 0.164 |
R-free | 0.22886 |
Structure solution method | SIRAS |
RMSD bond length | 0.016 |
RMSD bond angle | 1.648 |
Phasing software | SHELXS |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.780 | 2.090 |
High resolution limit [Å] | 1.990 | 1.990 |
Number of reflections | 28968 | 3560 |
<I/σ(I)> | 10.6 | 1.4 |
Completeness [%] | 97.9 | 90.1 |
Redundancy | 11.9 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 0.1 M HEPES pH 7.5, 4.3 M Sodium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 294K |