Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 113 |
Detector technology | CCD |
Collection date | 2009-10-05 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.360, 63.985, 82.803 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.630 - 1.700 |
R-factor | 0.2313 |
Rwork | 0.229 |
R-free | 0.27100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.025 |
RMSD bond angle | 2.028 |
Data reduction software | SAINT |
Data scaling software | SAINT (V7.34A) |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.630 | 50.630 | 1.647 |
High resolution limit [Å] | 1.690 | 3.426 | 1.590 |
Number of reflections | 25911 | ||
<I/σ(I)> | 166.319 | ||
Completeness [%] | 98.6 | ||
Redundancy | 5.24 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 20% (w/v) PEG 3350, 0.1M Tris-HCl, 0.2M sodium acetate pH 7.5, 0.02% azide, VAPOR DIFFUSION, HANGING DROP, temperature 293K |