8CNC
Structure of compound 1 bound KMT9
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-02-11 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.0 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 110.344, 110.344, 129.875 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.830 - 1.460 |
R-factor | 0.15337 |
Rwork | 0.152 |
R-free | 0.18330 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.762 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.780 | 8.000 |
High resolution limit [Å] | 1.460 | 1.460 |
Number of reflections | 80857 | 3867 |
<I/σ(I)> | 1.6 | |
Completeness [%] | 99.9 | |
Redundancy | 38.9 | |
CC(1/2) | 1.000 | 0.579 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 1.3 M Na3Citrate, 0.1M Tris ph 8.0 |