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 | 2019-06-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.978 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 115.722, 115.722, 129.620 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.210 - 3.090 |
R-factor | 0.1929 |
Rwork | 0.191 |
R-free | 0.23040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6pp9 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.290 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.295 | 3.232 |
High resolution limit [Å] | 3.090 | 3.120 |
Rmerge | 0.161 | |
Rpim | 0.046 | 0.583 |
Number of reflections | 18823 | 1816 |
<I/σ(I)> | 18.11 | 1.66 |
Completeness [%] | 99.8 | 99.62 |
Redundancy | 13 | |
CC(1/2) | 0.998 | 0.878 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 100 mM Bis-Tris pH 8.5, 200 mM Lithium Sulfate, and 22% PEG3350 |