1JNH
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 | 1998-07-03 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.200, 192.900, 71.120 |
| Unit cell angles | 90.00, 92.93, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.850 |
| R-factor | 0.198 * |
| Rwork | 0.198 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDN ENTRY: 1mfc & 1gig |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.530 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.950 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.109 | 0.550 |
| Total number of observations | 298099 * | |
| Number of reflections | 41521 | |
| <I/σ(I)> | 7.1 | 2 |
| Completeness [%] | 93.5 | 92.2 |
| Redundancy | 7.1 |
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) |
