Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-09 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | H 3 2 |
Unit cell lengths | 130.659, 130.659, 236.947 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.750 - 1.900 |
R-factor | 0.17077 |
Rwork | 0.170 |
R-free | 0.18929 |
Structure solution method | SIRAS |
Starting model (for MR) | NONE |
RMSD bond length | 0.005 |
RMSD bond angle | 1.098 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | Auto-Rickshaw |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.700 | 2.000 |
High resolution limit [Å] | 1.890 | 1.890 |
Rmerge | 0.240 | 1.490 |
Number of reflections | 61796 | |
<I/σ(I)> | 18.9 | 4.1 |
Completeness [%] | 99.7 | 98 |
Redundancy | 36.7 | 18.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.7 | THE PROTEIN WAS CONCENTRATED TO 10MG/ML AND WAS SET UP IN A 50:50 DROP WITH THE RESERVOIR BEING 38% V/V PEG MME 350 AND 100 MM HEPES PH 7.7 |