6T1M
Crystal structure of MLLT1 (ENL) YEATS domain in complexed with benzimidazole-amide derivative 4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 49.069, 49.069, 129.992 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.910 - 1.850 |
R-factor | 0.2181 |
Rwork | 0.215 |
R-free | 0.27450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6hq0 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.261 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.070 | 49.070 | 1.910 |
High resolution limit [Å] | 1.850 | 7.170 | 1.850 |
Rmerge | 0.087 | 0.074 | 0.800 |
Rmeas | 0.094 | 0.079 | 0.875 |
Rpim | 0.029 | 0.026 | 0.267 |
Number of reflections | 14360 | 322 | 1368 |
<I/σ(I)> | 10.6 | 2.1 | |
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 10 | 8.3 | 10.4 |
CC(1/2) | 0.998 | 0.998 | 0.930 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293.15 | 25% PEG 3350, 0.2M sodium chloride, 0.1M bis-tris pH 5.5 |