6VKE
Crystal Structure of Inhibitor JNJ-40012665 in Complex with Prefusion RSV F Glycoprotein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-07-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97926 |
Spacegroup name | P 41 3 2 |
Unit cell lengths | 168.770, 168.770, 168.770 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.933 - 2.100 |
R-factor | 0.1795 |
Rwork | 0.178 |
R-free | 0.19930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ea4 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (0.5.27) |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.110 | 45.110 | 2.160 |
High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
Rmerge | 0.186 | 0.093 | 1.621 |
Rmeas | 0.191 | 0.096 | 1.676 |
Rpim | 0.043 | 0.023 | 0.417 |
Total number of observations | 945480 | 12159 | 60177 |
Number of reflections | 48387 | 753 | 3907 |
<I/σ(I)> | 12 | 29.9 | 1.9 |
Completeness [%] | 100.0 | 98.7 | 100 |
Redundancy | 19.5 | 16.1 | 15.4 |
CC(1/2) | 0.997 | 0.998 | 0.669 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 1.64M K/Na tartrate, 0.2M LiSO4, 0.1M CHES pH 9.5 |