5EA6
Crystal Structure of Inhibitor BTA-9881 in Complex with Prefusion RSV F Glycoprotein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-12-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.000 |
Spacegroup name | P 41 3 2 |
Unit cell lengths | 170.160, 170.160, 170.160 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.120 - 2.750 |
R-factor | 0.204 |
Rwork | 0.202 |
R-free | 0.23480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mms |
RMSD bond length | 0.007 |
RMSD bond angle | 0.977 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.120 | 49.120 | 2.940 |
High resolution limit [Å] | 2.750 | 7.780 | 2.750 |
Rmerge | 0.280 | 0.059 | 3.695 |
Rpim | 0.048 | 0.010 | 0.663 |
Total number of observations | 790190 | 42534 | 125566 |
Number of reflections | 22527 | ||
<I/σ(I)> | 14.8 | 47.9 | 1.5 |
Completeness [%] | 100.0 | 99.6 | 100 |
Redundancy | 35.1 | 37.2 | 31.4 |
CC(1/2) | 0.998 | 0.999 | 0.582 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 293 | 1.54 M potassium/sodium tartrate, 0.2 M lithium sulfate, 0.1 M CHES, pH 9.5 |