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) |