Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-11-10 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97949 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.300, 61.080, 61.760 |
Unit cell angles | 90.00, 101.59, 90.00 |
Refinement procedure
Resolution | 43.021 - 1.420 |
Rwork | 0.167 |
R-free | 0.19900 |
Structure solution method | SAD |
RMSD bond length | 0.017 |
RMSD bond angle | 2.246 |
Data reduction software | autoPROC |
Data scaling software | SCALA |
Phasing software | SOLVE |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.870 | 1.500 |
High resolution limit [Å] | 1.420 | 1.420 |
Rmerge | 0.067 | 0.231 |
Rpim | 0.043 | 0.140 |
Number of reflections | 81091 | 11501 |
<I/σ(I)> | 15.6 | |
Completeness [%] | 99.5 | 97.5 |
Redundancy | 6.4 | 5.4 |
CC(1/2) | 0.997 | 0.956 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 291 | 0.1 M sodium acetate, pH 4.5, 6.0% w/v PEG3350, 5% v/v ethylene glycol, 0.2 M ammonium acetate |