1HQJ
CRYSTAL STRUCTURE OF A DE NOVO DESIGNED TRIMERIC COILED-COIL PEPTIDE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1999-11-05 |
Detector | MARRESEARCH |
Wavelength(s) | 0.951 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.334, 44.874, 81.043 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 * - 1.200 |
R-factor | 0.159 * |
R-free | 0.22000 * |
RMSD bond length | 0.010 * |
RMSD bond angle | 2.500 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | SHELXL |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 30.000 |
High resolution limit [Å] | 1.200 |
Rmerge | 0.629 * |
Total number of observations | 244675 * |
Number of reflections | 78313 * |
Completeness [%] | 81.5 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | Ammonium Sulfate, Sodium Acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | ammonium sulfate | 0.900ml saturated | |
2 | 1 | reservoir | sodium acetate | 1 (M) | |
3 | 1 | drop | protein | 60 (mg/ml) |