1LHW
CRYSTAL STRUCTURE OF THE N-TERMINAL LG-DOMAIN OF SHBG IN COMPLEX WITH 2-METHOXYESTRADIOL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-05-05 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.8453 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 103.920, 103.920, 84.460 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 * - 1.750 |
| Rwork | 0.210 |
| R-free | 0.23800 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1d2s |
| RMSD bond length | 0.010 * |
| RMSD bond angle | 1.520 * |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.790 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.031 | 0.286 |
| Total number of observations | 123818 * | |
| Number of reflections | 17701 | |
| Completeness [%] | 99.4 | 96.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 20 * | HEPES, Calcium chloride, 2-methoxyestradiol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 13 (mg/ml) | |
| 2 | 1 | drop | sodium HEPES | 50 (mM) | pH7.5 |
| 3 | 1 | drop | 2.5 (mM) | ||
| 4 | 1 | drop | 2-MeOE2 | 0.010 (mM) | |
| 5 | 1 | reservoir | isopropyl alcohol | 20 (%) | |
| 6 | 1 | reservoir | PEG400 | 10 (%) | |
| 7 | 1 | reservoir | 100 (mM) | ||
| 8 | 1 | reservoir | sodium HEPES | 100 (mM) | pH7.5 |
