6EAG
CRYSTAL STRUCTURE OF FUSION INHIBITOR JNJ-2408068 IN COMPLEX WITH HUMAN RESPIRATORY SYNCYTIAL VIRUS FUSION GLYCOPROTEIN ESCAPE VARIANT G143S STABILIZED IN THE PREFUSION STATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2015-11-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 41 3 2 |
| Unit cell lengths | 170.340, 170.340, 170.340 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.079 - 3.302 |
| R-factor | 0.2164 |
| Rwork | 0.215 |
| R-free | 0.24880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ea3 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.5.15) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.150 | 3.560 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.221 | 1.894 |
| Rmeas | 0.233 | 1.991 |
| Rpim | 0.073 | 0.610 |
| Number of reflections | 13277 | 2662 |
| <I/σ(I)> | 7.6 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 10.1 | 10.5 |
| CC(1/2) | 0.997 | 0.549 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 293 | 1.54M K/Na tartrate, 0.2M LiSO4, 0.1M CHES pH 9.5 |
