9AYQ
SMARCA2 in complex with a pyridine-2-one-based inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2019-01-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97919 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 100.106, 63.967, 126.575 |
| Unit cell angles | 90.00, 102.18, 90.00 |
Refinement procedure
| Resolution | 47.240 - 2.900 |
| R-factor | 0.2345 |
| Rwork | 0.232 |
| R-free | 0.28670 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.267 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.240 | 3.060 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.098 | 0.504 |
| Rmeas | 0.120 | 0.615 |
| Rpim | 0.067 | 0.347 |
| Total number of observations | 11926 | |
| Number of reflections | 29989 | 4505 |
| <I/σ(I)> | 8 | 1.8 |
| Completeness [%] | 86.8 | |
| Redundancy | 2.7 | 2.6 |
| CC(1/2) | 0.994 | 0.819 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1 uL of protein at a concentration of 28.5 mg/ml in a buffer 25mM Hepes, 300mM NaCl, 5% glycerol, 1mM TCEP, pH 7.5 was combined with 1ul of 0.1 M HEPES, pH 7.1, 4% w/v PEG 8000 |
