6HPY
Crystal structure of ENL (MLLT1) in complex with compound 12
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-21 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97950 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 49.039, 49.039, 132.729 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.000 - 2.000 |
R-factor | 0.219 |
Rwork | 0.217 |
R-free | 0.26031 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5j9s |
RMSD bond length | 0.013 |
RMSD bond angle | 1.434 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.390 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.079 | 0.216 |
Rpim | 0.030 | 0.080 |
Number of reflections | 11691 | 850 |
<I/σ(I)> | 15.7 | 7.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 8.6 | 8.9 |
CC(1/2) | 0.996 | 0.987 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293.15 | 25% PEG 3350, 0.2M ammonium sulfate, 0.1M bis-tris, pH 5.5 |