6BHE
Crystal structure of SETDB1 with a modified 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 | 2013-07-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97856 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.051, 71.372, 52.055 |
Unit cell angles | 90.00, 104.23, 90.00 |
Refinement procedure
Resolution | 35.690 - 1.350 |
R-factor | 0.1364 |
Rwork | 0.135 |
R-free | 0.17250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dlm |
RMSD bond length | 0.017 |
RMSD bond angle | 1.755 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.27) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.200 | 41.200 | 1.350 |
High resolution limit [Å] | 1.330 | 7.280 | 1.330 |
Rmerge | 0.049 | 0.021 | 1.153 |
Rmeas | 0.057 | 0.025 | 1.354 |
Rpim | 0.030 | 0.014 | 0.703 |
Total number of observations | 221167 | 1175 | 10742 |
Number of reflections | 60118 | ||
<I/σ(I)> | 15.3 | 54.1 | 1.2 |
Completeness [%] | 99.8 | 91.5 | 99.9 |
Redundancy | 3.7 | 3.3 | 3.6 |
CC(1/2) | 0.999 | 0.999 | 0.495 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 291 | 25% PEG3350, 0.2 M sodium chloride, 0.1 M HEPES, 5% glycerol |