6DK5
The X-ray crystal structure of human endothelin-1, a polypeptide hormone regulator of blood pressure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | AREA DETECTOR |
Collection date | 1997-06-15 |
Detector | SDMS |
Wavelength(s) | 1.54 |
Spacegroup name | P 61 |
Unit cell lengths | 27.328, 27.328, 79.538 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 23.670 - 1.850 |
R-factor | 0.2079 |
Rwork | 0.204 |
R-free | 0.28373 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5glh |
RMSD bond length | 0.011 |
RMSD bond angle | 1.632 |
Data reduction software | SDMS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 80.000 |
High resolution limit [Å] | 1.850 |
Rmerge | 0.257 |
Rmeas | 0.283 |
Rpim | 0.086 |
Number of reflections | 2534 |
<I/σ(I)> | 4.6 |
Completeness [%] | 99.6 |
Redundancy | 7.7 |
CC(1/2) | 0.947 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 310 | 4 uL 15 mg/mL aqueous endothelin + 6 uL reservoir solution (20-25% MPD, 0.2 M MES, pH 6.5) + 2 uL 0.2 M MES, pH 6.5 |