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 | 116.784, 116.784, 129.256 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.330 - 3.120 |
R-factor | 0.1929 |
Rwork | 0.191 |
R-free | 0.22530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6pp9 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASES |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.330 | 3.232 |
High resolution limit [Å] | 3.120 | 3.120 |
Rmerge | 0.146 | |
Rmeas | 0.151 | |
Rpim | 0.039 | 0.472 |
Number of reflections | 18575 | 1809 |
<I/σ(I)> | 18.33 | 1.66 |
Completeness [%] | 99.9 | |
Redundancy | 15.1 | |
CC(1/2) | 0.999 | 0.660 |
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 3,350 |