Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-10-20 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97857 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 117.522, 117.522, 72.073 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.570 - 2.820 |
R-factor | 0.2157 |
Rwork | 0.214 |
R-free | 0.24920 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.452 |
Data reduction software | HKL-2000 (v721.3) |
Data scaling software | HKL-2000 (v721.3) |
Phasing software | PHENIX (1.20.1_4487) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.570 | 2.921 |
High resolution limit [Å] | 2.820 | 2.820 |
Rmerge | 0.269 | 1.397 |
Rmeas | 0.276 | 1.453 |
Rpim | 0.060 | 0.395 |
Number of reflections | 14120 | 1357 |
<I/σ(I)> | 16.02 | 1.73 |
Completeness [%] | 99.1 | 97.07 |
Redundancy | 20.6 | 13 |
CC(1/2) | 0.984 | 0.672 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M NaCl, 0.1 M BIS TRIS, 1.3 - 1.7 M ammonium sulfate |