Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-10-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 89.980, 117.570, 140.320 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.440 - 1.990 |
R-factor | 0.2062 |
Rwork | 0.205 |
R-free | 0.24580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.150 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.440 | 2.020 |
High resolution limit [Å] | 1.990 | 1.990 |
Number of reflections | 97588 | 3387 |
<I/σ(I)> | 7.24 | |
Completeness [%] | 99.2 | |
Redundancy | 3.4 | |
CC(1/2) | 0.997 | 0.280 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 2.15 M ammonium sulfate, 100 mM Hepes-NaOH at pH 7.0 |