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 |