4O6F
Structural Basis of Estrogen Receptor Alpha Methylation Mediated by Histone Methyltransferase SmyD2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-22 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0781 |
| Spacegroup name | I 4 |
| Unit cell lengths | 151.810, 151.810, 52.873 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 75.900 - 2.822 |
| R-factor | 0.178 |
| Rwork | 0.175 |
| R-free | 0.23550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qww |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.486 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.900 | 3.150 |
| High resolution limit [Å] | 2.820 | 2.820 |
| Rmerge | 0.110 | 0.446 |
| Number of reflections | 12051 | |
| <I/σ(I)> | 10.8 | 2.5 |
| Completeness [%] | 83.6 | 86.4 |
| Redundancy | 3.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 20% polyethylene glycol 3350, 100 mM Tris pH 7.5, 5% ethanol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
