5TOA
Crystal Structure of ER beta bound to Estradiol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-01-01 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.45 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 83.811, 83.811, 168.531 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.425 - 2.500 |
| R-factor | 0.2074 |
| Rwork | 0.205 |
| R-free | 0.24450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3oll |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.597 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.400 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.083 | 0.491 |
| Number of reflections | 24377 | |
| <I/σ(I)> | 15.9 | 4.1 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 6.5 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 292 | 0.1 M Na-citrate, 10% [w/v] PEG-4000, 10% [v/v] isopropanol |
