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 | 2022-04-13 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97857 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.314, 71.319, 193.018 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.160 - 3.100 |
R-factor | 0.2895 |
Rwork | 0.288 |
R-free | 0.31190 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.329 |
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] | 48.250 | 3.211 |
High resolution limit [Å] | 3.100 | 3.100 |
Rmerge | 0.247 | 1.149 |
Rmeas | 0.261 | 1.206 |
Rpim | 0.079 | 0.357 |
Number of reflections | 17590 | 1716 |
<I/σ(I)> | 10.13 | 1.89 |
Completeness [%] | 96.8 | 97.55 |
Redundancy | 9.8 | 10 |
CC(1/2) | 0.992 | 0.834 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M sodium chloride, 0.1 M Bis-Tris, 1.3-1.7 M ammonium sulfate, 0.01 M cadmium chloride |