5FOR
Cryptic TIR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 77 |
Detector technology | PIXEL |
Collection date | 2015-02-05 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 135.042, 135.042, 42.912 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.203 - 2.500 |
R-factor | 0.1907 |
Rwork | 0.188 |
R-free | 0.24410 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.012 |
RMSD bond angle | 1.593 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | SHELX |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.000 | |
High resolution limit [Å] | 2.500 | |
Rmerge | 0.050 | 0.240 |
Number of reflections | 15066 | |
<I/σ(I)> | 25 | 7.2 |
Completeness [%] | 99.0 | 98 |
Redundancy | 6.6 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.1 M MES PH 6.5 1-10% PEG400 1.5-2.3 M AMMONIUM SULPHATE .001M I3C |