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] | 277 |
Detector technology | PIXEL |
Collection date | 2019-11-29 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.790, 97.080, 105.540 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 71.450 - 2.050 |
R-factor | 0.1898 |
Rwork | 0.188 |
R-free | 0.22280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3iag |
RMSD bond length | 0.008 |
RMSD bond angle | 0.936 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 97.080 | 2.096 |
High resolution limit [Å] | 2.050 | 2.051 |
Number of reflections | 43800 | 2556 |
<I/σ(I)> | 10.6 | |
Completeness [%] | 98.7 | |
Redundancy | 6.3 | |
CC(1/2) | 0.997 | 0.780 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | ammonium fluoride PEG 3350 |