Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-12-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.03320 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.230, 76.430, 137.350 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.075 - 2.450 |
Rwork | 0.240 |
R-free | 0.27340 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.634 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.075 | 2.490 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.050 | 1.790 |
Rmeas | 0.052 | 1.865 |
Number of reflections | 30234 | 1477 |
<I/σ(I)> | 25.8 | 1.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.8 | 12.8 |
CC(1/2) | 1.000 | 0.655 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2.2 M ammonium sulfate, 0.2 M tri-potassium citrate |