5T1I
CBX3 chromo shadow domain in complex with histone H3 peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9791829 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.737, 34.971, 45.833 |
| Unit cell angles | 90.00, 93.32, 90.00 |
Refinement procedure
| Resolution | 27.790 - 1.600 |
| R-factor | 0.197 |
| Rwork | 0.194 |
| R-free | 0.23920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kup |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.758 |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.760 | 45.760 | 1.630 |
| High resolution limit [Å] | 1.600 | 8.770 | 1.600 |
| Rmerge | 0.052 | 0.023 | 0.860 |
| Rmeas | 0.062 | 0.029 | 1.103 |
| Rpim | 0.033 | 0.017 | 0.678 |
| Total number of observations | 55600 | 318 | 1249 |
| Number of reflections | 16432 | ||
| <I/σ(I)> | 14.5 | 42.7 | 1 |
| Completeness [%] | 95.5 | 94.4 | 65.8 |
| Redundancy | 3.4 | 2.8 | 2.3 |
| CC(1/2) | 0.999 | 0.998 | 0.524 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 25% PEG 3350, 0.2 M sodium chloride, 0.1 M Hepes, 5% Ethylene Glycol |
