1JN6
Crystal Structure of Fab-Estradiol Complexes
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-07-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.881, 73.119, 142.604 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.700 |
| R-factor | 0.24 |
| Rwork | 0.223 |
| R-free | 0.30500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | : 1mfc & 1gig |
| 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 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.095 * | 0.346 * |
| Total number of observations | 149861 * | |
| Number of reflections | 13479 | |
| <I/σ(I)> | 10.2 | 2.1 |
| Completeness [%] | 90.3 | 81.3 |
| Redundancy | 11.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7 | 298 | MPEG 550, Imidazole Malate, pH 7.0, 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 | PEG550 MME | 22.5 (%(w/w)) | |
| 3 | 1 | reservoir | imidazole-malate | 200 (mM) | pH7.0 |
| 4 | 1 | reservoir | Fab' | 10 (mg/ml) |
