Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 116.964, 116.964, 129.733 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.435 - 3.190 |
R-factor | 0.1991 |
Rwork | 0.197 |
R-free | 0.25390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6pp9 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASES |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.440 | 3.304 |
High resolution limit [Å] | 3.190 | 3.190 |
Rmerge | 0.138 | |
Rmeas | 0.153 | |
Rpim | 0.066 | 0.605 |
Number of reflections | 17505 | 1733 |
<I/σ(I)> | 10.9 | 2 |
Completeness [%] | 99.8 | 100 |
Redundancy | 9.8 | 10 |
CC(1/2) | 0.996 | 0.743 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 100 mM Tris 8.5, 200 mM Lithium Sulfate and 22% PEG 3350 |