Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-05-30 |
Detector | DECTRIS PILATUS 2M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 121.800, 124.030, 153.320 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.530 - 3.700 |
R-factor | 0.2792 |
Rwork | 0.278 |
R-free | 0.31010 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.010 |
RMSD bond angle | 1.260 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | SHELX (SHARP) |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.570 | 3.760 |
High resolution limit [Å] | 3.700 | 3.700 |
Rmerge | 0.070 | 0.740 |
Number of reflections | 21870 | |
<I/σ(I)> | 20 | 2.2 |
Completeness [%] | 98.0 | 86.3 |
Redundancy | 5.4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 277 | 22 % PEG 400, 0.05 M SODIUM CITRATE PH 4.5, 0.07 M SODIUM CHLORIDE AND 1.5 % PEG 600 USING THE HANGING DROP VAPOR DIFFUSION TECHNIQUE AT 4 CELSIUS. |