7B10
Crystal structure of MLLT1 YEATS domain T1 mutant in complex with benzimidazole-amide based compound 1
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 | 2020-03-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 91.111, 39.357, 53.111 |
| Unit cell angles | 90.00, 125.58, 90.00 |
Refinement procedure
| Resolution | 43.200 - 1.920 |
| R-factor | 0.1754 |
| Rwork | 0.174 |
| R-free | 0.20940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6t1l |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.572 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 43.200 | 43.200 | 1.990 |
| High resolution limit [Å] | 1.920 | 7.440 | 1.920 |
| Rmerge | 0.079 | 0.048 | 0.645 |
| Rmeas | 0.092 | 0.056 | 0.751 |
| Rpim | 0.046 | 0.029 | 0.379 |
| Total number of observations | 45110 | 841 | 4506 |
| Number of reflections | 11770 | 230 | 1162 |
| <I/σ(I)> | 7.9 | 17.9 | 2.1 |
| Completeness [%] | 99.2 | 99.8 | 99.8 |
| Redundancy | 3.8 | 3.7 | 3.9 |
| CC(1/2) | 0.996 | 0.993 | 0.803 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 25% w/v PEG 3350, 0.1M Bis-Tris, pH 5.5 |
