6U9N
MLL1 SET N3861I/Q3867L bound to inhibitor 14 (TC-5139)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-02-07 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 32 |
| Unit cell lengths | 54.629, 54.629, 105.832 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 21.600 - 1.950 |
| R-factor | 0.228 |
| Rwork | 0.227 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5f5e |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.050 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 25728 | 25728 |
| <I/σ(I)> | 10 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.8 | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 2.2 M Sodium Malonate pH 7.0 |
