8W13
Crystal structure of MYST acetyltransferase domain in complex with N-(1-(5-bromo-2-methoxyphenyl)-1H-1,2,3-triazol-4-yl)-2-methoxybenzenesulfonamide
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL45XU |
| Synchrotron site | SPring-8 |
| Beamline | BL45XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-02-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.568, 58.989, 119.062 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.410 - 1.810 |
| R-factor | 0.16617 |
| Rwork | 0.164 |
| R-free | 0.20352 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.639 |
| Data reduction software | XDS (Feb 5, 2021 BUILT=20210323) |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.570 | 1.850 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.072 | 0.466 |
| Rmeas | 0.078 | 0.524 |
| Rpim | 0.030 | 0.233 |
| Number of reflections | 30091 | 1437 |
| <I/σ(I)> | 21.3 | 3.5 |
| Completeness [%] | 98.1 | 81.4 |
| Redundancy | 12.4 | 8.7 |
| CC(1/2) | 0.999 | 0.924 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7 | 291 | 0.1M tris pH7.0,2M NaCl,0.22M MgCl2 |
