7CJT
Crystal Structure of SETDB1 Tudor domain in complexed with (R,R)-59
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-04-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 83.335, 69.214, 110.124 |
Unit cell angles | 90.00, 98.93, 90.00 |
Refinement procedure
Resolution | 41.162 - 2.474 |
R-factor | 0.2078 |
Rwork | 0.204 |
R-free | 0.27640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6bhd |
RMSD bond length | 0.016 |
RMSD bond angle | 1.559 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.400 | 2.731 |
High resolution limit [Å] | 2.470 | 2.475 |
Number of reflections | 29988 | 1505 |
<I/σ(I)> | 12.1 | |
Completeness [%] | 99.7 | |
Redundancy | 6.6 | |
CC(1/2) | 0.997 | 0.485 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.1%w/v n-Octyl-B-D-glucoside 0.1 M Sodium citrate trihydrate,pH 5.5 22% PEG3350 |