5JLB
Crystal structure of SETD2 bound to histone H3.3 K36I peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-06-28 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9790 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.593, 76.844, 77.264 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.516 - 1.500 |
R-factor | 0.1655 |
Rwork | 0.164 |
R-free | 0.19030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4h12 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.914 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.530 |
High resolution limit [Å] | 1.500 | 4.070 | 1.500 |
Rmerge | 0.078 | 0.051 | 0.754 |
Rmeas | 0.082 | ||
Rpim | 0.024 | ||
Total number of observations | 541322 | ||
Number of reflections | 58483 | ||
<I/σ(I)> | 13.7 | ||
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 9.3 | 12.1 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 0.2 M KSCN, 0.1 M Bis-Tris Propane, 20% PEG3350 |