5E13
Crystal structure of Eosinophil-derived neurotoxin in complex with the triazole double-headed ribonucleoside 11c
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-09-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.04 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.020, 52.180, 56.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.410 - 1.340 |
| R-factor | 0.17079 |
| Rwork | 0.169 |
| R-free | 0.19833 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gqv |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.481 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.410 | 1.420 |
| High resolution limit [Å] | 1.340 | 1.340 |
| Number of reflections | 28507 | |
| <I/σ(I)> | 10.3 | 5.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.94 | 7.85 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | 0.1M Sodium Cacodylate, 1.5M Sodium acetate |
