1A52
ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN COMPLEXED TO ESTRADIOL
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-06 |
| Detector | RIGAKU |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 147.000, 147.000, 168.900 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.800 |
| R-factor | 0.223 |
| Rwork | 0.223 |
| R-free | 0.27400 |
| Structure solution method | MIR |
| RMSD bond length | 0.001 |
| RMSD bond angle | 17.019 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | CNS (0.3A) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.068 | 0.404 |
| Number of reflections | 33401 | |
| <I/σ(I)> | 19.3 | 2.6 |
| Completeness [%] | 99.1 | 98.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 18 * | WELL: 100 MM TRIS PH 7.6 480 MM MGCL2 10 MM MGOAC2 10% ETHYLENE GLYCOL 5% PEG 4000. PROTEIN STOCK: 18 MG/ML ERLBD 25 MM TRIS PH 7.4 200 MM NACL 1 MM EDTA 1 MM DTT 20 MICROMOLAR ESTRADIOL 0.1% BETA-OCTYL GLUCOSIDE AT 18 CELSIUS., vapor diffusion - hanging drop, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | Tris | 100 (mM) | pH7.6 |
| 2 | 1 | reservoir | 480 (mM) | ||
| 3 | 1 | reservoir | magnesium acetate | 10 (mM) | |
| 4 | 1 | reservoir | ethylene glycol | 10 (%) | |
| 5 | 1 | reservoir | PEG4000 | 5 (%) |
