7B0T
Crystal structure of MLLT1 YEATS domain T3 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 | 2020-04-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 48.739, 48.739, 131.995 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.720 - 2.050 |
| R-factor | 0.2208 |
| Rwork | 0.218 |
| R-free | 0.27560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6t1j |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.313 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MLPHARE |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.740 | 48.740 | 2.110 |
| High resolution limit [Å] | 2.050 | 8.940 | 2.050 |
| Rmerge | 0.094 | 0.055 | 1.169 |
| Rmeas | 0.099 | 0.059 | |
| Rpim | 0.031 | 0.019 | 0.378 |
| Total number of observations | 103164 | ||
| Number of reflections | 10697 | 182 | 804 |
| <I/σ(I)> | 11.5 | ||
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 9.6 | 7.5 | 10.1 |
| CC(1/2) | 0.999 | 0.998 | 0.858 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 28% PEG 3350, 0.2M NaOAc, 0.1M Bis-Tris, pH6.0 |
