7LZB
Crystal Structure of SETD2 bound to Compound 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2016-09-30 |
Detector | RDI CMOS_8M |
Wavelength(s) | 0.97776 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.545, 76.751, 77.775 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.630 - 2.280 |
R-factor | 0.2081 |
Rwork | 0.205 |
R-free | 0.26360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5jle |
RMSD bond length | 0.010 |
RMSD bond angle | 1.414 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.630 | 2.340 |
High resolution limit [Å] | 2.280 | 2.281 |
Rmerge | 0.106 | 0.806 |
Number of reflections | 13698 | 1377 |
<I/σ(I)> | 13.9 | |
Completeness [%] | 99.7 | |
Redundancy | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Potassium thiocyanate, 0.1M Tris pH 7.8, 25% w/v PEG 2000 MME |