1JNN
Crystal Structure of Fab-Estradiol Complexes
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LURE BEAMLINE DW32 |
| Synchrotron site | LURE |
| Beamline | DW32 |
| Temperature [K] | 279 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-07-18 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 70.950, 143.240, 53.370 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 3.200 |
| R-factor | 0.226 |
| Rwork | 0.211 |
| R-free | 0.31600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | : 1bbd |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.650 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.300 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Number of reflections | 8800 | |
| <I/σ(I)> | 8.3 | 1.8 |
| Completeness [%] | 93.3 | 90 |
| Redundancy | 8.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7 * | 298 | PEG 8000 CHES, pH 9.3, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5-15 (mg/ml) | |
| 2 | 1 | reservoir | PEG8000 | 18 (%(w/v)) | |
| 3 | 1 | reservoir | CHES | 100 (mM) | pH9.3 |
| 4 | 1 | reservoir | F(ab') | 10 (mg/ml) |
