6EAK
CRYSTAL STRUCTURE OF FUSION INHIBITOR JNJ-2408068 IN COMPLEX WITH HUMAN RESPIRATORY SYNCYTIAL VIRUS FUSION GLYCOPROTEIN ESCAPE VARIANT T400A 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 | 2016-11-08 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 41 3 2 |
Unit cell lengths | 168.450, 168.450, 168.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.556 - 2.600 |
R-factor | 0.1924 |
Rwork | 0.191 |
R-free | 0.22110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ea4 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.28) |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.560 | 2.720 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.130 | 1.267 |
Rmeas | 0.135 | 1.310 |
Rpim | 0.035 | 0.330 |
Total number of observations | 376488 | |
Number of reflections | 25761 | 3084 |
<I/σ(I)> | 15.5 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 14.6 | 15.6 |
CC(1/2) | 0.999 | 0.795 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 293 | 1.48M K/Na tartrate, 0.2M LiSO4, 0.1M CHES pH 9.5 |