1T7H
X-ray structure of [Lys(-2)-Arg(-1)-des(17-21)]-endothelin-1 peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-09-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 30.136, 53.926, 19.486 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.130 |
| R-factor | 0.122 |
| Rwork | 0.120 |
| R-free | 0.13400 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.930 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | SnB |
| Refinement software | REFMAC (5.1.9999) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.300 | 1.160 |
| High resolution limit [Å] | 1.130 | 1.130 |
| Rmerge | 0.070 | |
| Number of reflections | 12081 | |
| Completeness [%] | 99.2 | 99.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 291 | PEG 4000, isopropanol, sodium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K, pH 5.00 |
