8F5X
Crystal structure of human eosinophil-derived neurotoxin (EDN, ribonuclease 2) in complex with 5'-adenosine monophosphate (AMP)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-09-23 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.5215 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.780, 52.450, 56.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.400 - 1.700 |
| R-factor | 0.1799 |
| Rwork | 0.178 |
| R-free | 0.19680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gqv |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.604 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.19.1-4122) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.410 | 38.410 | 1.760 |
| High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
| Rmerge | 0.046 | 0.031 | 1.522 |
| Rmeas | 0.048 | 0.032 | 1.598 |
| Rpim | 0.014 | 0.009 | 0.477 |
| Number of reflections | 13857 | 1522 | 1326 |
| <I/σ(I)> | 30.8 | 56.1 | 2.2 |
| Completeness [%] | 97.8 | 99.9 | 95.4 |
| Redundancy | 11.2 | 11.8 | 11.2 |
| CC(1/2) | 0.999 | 0.999 | 0.945 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 1.2M succinic acid, 0.1M Hepes pH 7.0, 1% MME PEG 2000 |
