Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-12-21 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9793 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 60.500, 115.720, 53.090 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.649 - 1.500 |
R-factor | 0.189734709652 |
Rwork | 0.189 |
R-free | 0.21310 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 0.924 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | SHELXDE |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.649 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 29976 | 1256 |
<I/σ(I)> | 16 | |
Completeness [%] | 99.3 | 99.6 |
Redundancy | 4.3 | |
CC(1/2) | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 300 | 10-15% PEG 3350 and 0.2-0.25 M magnesium formate |