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 | 2019-08-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.978 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 116.716, 116.716, 129.483 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.080 - 3.450 |
R-factor | 0.1964 |
Rwork | 0.195 |
R-free | 0.21780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6pp9 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.774 |
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] | 47.080 | 3.575 |
High resolution limit [Å] | 3.450 | 3.451 |
Rmerge | 0.150 | 0.675 |
Rmeas | 0.169 | 0.758 |
Rpim | 0.075 | 0.338 |
Number of reflections | 13509 | 1329 |
<I/σ(I)> | 9.4 | 2.28 |
Completeness [%] | 97.5 | 98.37 |
Redundancy | 4.8 | |
CC(1/2) | 0.992 | 0.748 |
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 |