Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-10-05 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 41 |
Unit cell lengths | 84.770, 84.770, 118.520 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 68.950 - 2.420 |
R-factor | 0.19301 |
Rwork | 0.190 |
R-free | 0.24588 |
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] | 68.950 | 2.480 |
High resolution limit [Å] | 2.420 | 2.420 |
Rmeas | 0.059 | 0.663 |
Number of reflections | 31830 | 2366 |
<I/σ(I)> | 19.3 | 2.3 |
Completeness [%] | 99.6 | |
Redundancy | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.6 | 277 | 12-20% Ethanol, 0.1M Hepes pH 7.6 |