7ETN
Crystal structure of Pro-Phe-Leu-Ile
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-17 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.7 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 5.264, 24.967, 20.736 |
Unit cell angles | 90.00, 94.85, 90.00 |
Refinement procedure
Resolution | 20.550 - 0.820 |
Rwork | 0.069 |
R-free | 0.08730 |
Structure solution method | AB INITIO PHASING |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELXT |
Refinement software | SHELX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.550 | 20.550 | 0.840 |
High resolution limit [Å] | 0.820 | 3.670 | 0.820 |
Rmerge | 0.081 | 0.066 | 0.346 |
Rmeas | 0.101 | 0.084 | 0.428 |
Number of reflections | 9768 | 116 | 702 |
<I/σ(I)> | 12.02 | 22.75 | 4.47 |
Completeness [%] | 95.5 | 99.1 | 91.2 |
Redundancy | 2.795 | 2.836 | 2.771 |
CC(1/2) | 0.990 | 0.983 | 0.861 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 100 mM MOPS, 5 mM EDTA-2Na |