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 | 2018-05-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.033200 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 270.891, 269.263, 185.248 |
Unit cell angles | 90.00, 131.77, 90.00 |
Refinement procedure
Resolution | 48.210 - 3.670 |
R-factor | 0.13817 |
Rwork | 0.137 |
R-free | 0.18907 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.722 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.210 | 3.890 |
High resolution limit [Å] | 3.670 | 3.670 |
Number of reflections | 105402 | 15220 |
<I/σ(I)> | 20.64 | 5.8 |
Completeness [%] | 97.4 | |
Redundancy | 3.86 | |
CC(1/2) | 0.999 | 0.955 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.2 M K-Na-tartrate, 100 mM (NH4)2SO4, 100 mM MES pH 6.5 |