8JIG
A Novel UHRF1-Targeted Compound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-11 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.97 |
Spacegroup name | P 31 |
Unit cell lengths | 65.875, 65.875, 95.634 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.647 - 2.400 |
Rwork | 0.208 |
R-free | 0.24430 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.486 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 17248 | 1811 |
<I/σ(I)> | 16.11 | |
Completeness [%] | 95.0 | |
Redundancy | 5.4 | |
CC(1/2) | 0.983 | 0.637 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M Bris-Tris, pH 6.0, 0.2M NaCl, 1mM TCEP, 2.2-2.4mM ammonium sulfate |