8SII
Crystal Structure of CBX7 with compound UNC4976
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-10-15 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.735, 40.514, 83.172 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.450 - 1.370 |
R-factor | 0.19816 |
Rwork | 0.197 |
R-free | 0.22295 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.179 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.390 |
High resolution limit [Å] | 1.370 | 3.720 | 1.370 |
Rmerge | 0.069 | 0.054 | 0.431 |
Rmeas | 0.075 | 0.058 | 0.514 |
Rpim | 0.029 | 0.022 | 0.274 |
Total number of observations | 175688 | ||
Number of reflections | 26991 | 1514 | 1118 |
<I/σ(I)> | 10.4 | ||
Completeness [%] | 94.9 | 96.2 | 80.4 |
Redundancy | 6.5 | 6.7 | 3.2 |
CC(1/2) | 0.994 | 0.996 | 0.659 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 2.5 M Ammonium Sulfate, 0.1 M BIS-Tris propane PH7.0 |