8QDI
compound 1b bound KMT9 crystal structure
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 | 2019-02-12 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.0 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 110.516, 110.516, 129.837 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.901 - 1.467 |
Rwork | 0.158 |
R-free | 0.19050 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.736 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.901 | 47.850 | 1.490 |
High resolution limit [Å] | 1.467 | 8.030 | 1.470 |
Rmerge | 0.095 | 0.031 | 4.189 |
Rmeas | 0.097 | 0.031 | 4.331 |
Rpim | 0.021 | 0.007 | 1.086 |
Number of reflections | 80097 | 606 | 3793 |
<I/σ(I)> | 26.4 | ||
Completeness [%] | 99.8 | ||
Redundancy | 39.4 | 34.3 | 29.6 |
CC(1/2) | 1.000 | 1.000 | 0.448 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.1 M Na3Citrate, 0.1M HEPES 7.25 |