6T1N
Crystal structure of MLLT1 (ENL) YEATS domain in complexed with benzimidazole-amide derivative 5
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 | 49.014, 49.014, 132.425 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.970 - 1.950 |
R-factor | 0.2116 |
Rwork | 0.209 |
R-free | 0.26600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6hq0 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.199 |
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] | 49.010 | 49.010 | 2.020 |
High resolution limit [Å] | 1.950 | 7.550 | 1.950 |
Rmerge | 0.082 | 0.058 | 0.735 |
Rmeas | 0.092 | 0.064 | 0.840 |
Rpim | 0.033 | 0.025 | 0.304 |
Number of reflections | 12512 | 271 | 1201 |
<I/σ(I)> | 9.8 | 2.2 | |
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 7.1 | 6.1 | 7.4 |
CC(1/2) | 0.997 | 0.996 | 0.830 |
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 |