8DKB
Crystal Structure of human YEATS4 in complex with Pfizer small molecule compound 3b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.600, 109.300, 103.830 |
| Unit cell angles | 90.00, 95.68, 90.00 |
Refinement procedure
| Resolution | 41.300 - 2.580 |
| R-factor | 0.174 |
| Rwork | 0.171 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5vna |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.090 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 103.320 | 2.803 |
| High resolution limit [Å] | 2.580 | 2.582 |
| Number of reflections | 26291 | 1316 |
| <I/σ(I)> | 8.7 | 1.3 |
| Completeness [%] | 62.0 | 14.2 |
| Redundancy | 3.4 | 3.4 |
| CC(1/2) | 0.994 | 0.510 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M sodium citrate tribasic dihydrate (pH 5.6), 2% (v/v) tacsimate (pH 5.0), and 16% PEG 3350, 0.1M Ammonium sulfate |
