Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-12-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 41 |
Unit cell lengths | 84.500, 84.500, 118.720 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 84.640 - 2.310 |
R-factor | 0.20017 |
Rwork | 0.197 |
R-free | 0.25614 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4idt |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 84.643 | 2.370 |
High resolution limit [Å] | 2.310 | 2.310 |
Rmeas | 0.091 | 0.689 |
Number of reflections | 36568 | 2685 |
<I/σ(I)> | 15.5 | 2.4 |
Completeness [%] | 100.0 | |
Redundancy | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.6 | 277 | 12-20% Ethanol, 0.1M Hepes pH 7.6 |