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 |
