5JLE
Crystal structure of SETD2 bound to SAH
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 | 2014-07-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9952 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.540, 77.152, 78.693 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.884 - 2.400 |
R-factor | 0.2117 |
Rwork | 0.208 |
R-free | 0.25040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4h12 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.876 |
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 | 2.440 |
High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
Rmerge | 0.081 | 0.052 | 0.841 |
Total number of observations | 90045 | ||
Number of reflections | 12885 | ||
<I/σ(I)> | 11.6 | ||
Completeness [%] | 99.4 | 92.3 | 100 |
Redundancy | 7 | 5.8 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.1 M KSCN, 30% PEG2000mme |