Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-04-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 137.264, 167.546, 176.922 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.520 - 2.450 |
R-factor | 0.1909 |
Rwork | 0.190 |
R-free | 0.22150 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.630 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.520 | 2.510 |
High resolution limit [Å] | 2.450 | 2.450 |
Rpim | 0.075 | 0.880 |
Number of reflections | 67432 | 1717 |
<I/σ(I)> | 11.1 | 0.7 |
Completeness [%] | 90.3 | |
Redundancy | 5.7 | |
CC(1/2) | 0.999 | 0.257 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 35% Peg 200, 0.1 M Na Citrate pH 5.5 |