Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 77 |
Detector technology | PIXEL |
Collection date | 2016-11-25 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.989 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 110.026, 151.569, 176.548 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 115.000 - 2.210 |
R-factor | 0.19106 |
Rwork | 0.190 |
R-free | 0.21568 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6r3t |
RMSD bond length | 0.012 |
RMSD bond angle | 1.809 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 115.000 | 2.330 |
High resolution limit [Å] | 2.210 | 2.210 |
Number of reflections | 73757 | 10661 |
<I/σ(I)> | 20.6 | |
Completeness [%] | 99.8 | |
Redundancy | 4.8 | |
CC(1/2) | 0.997 | 0.516 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 19 % PEG3350, 0.2M Tri-potassium citrate |