4IBJ
Ebola virus VP35 bound to small molecule
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 | CCD |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9793378 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.257, 66.346, 72.659 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.417 - 1.540 |
R-factor | 0.1872 |
Rwork | 0.182 |
R-free | 0.22940 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.092 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.570 |
High resolution limit [Å] | 1.540 | 4.180 | 1.540 |
Rmerge | 0.082 | 0.043 | 0.652 |
Number of reflections | 36721 | ||
<I/σ(I)> | 7 | ||
Completeness [%] | 98.1 | 98.9 | 83.1 |
Redundancy | 6.7 | 6.7 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 100 mM sodium citrate, pH5.5, 15% PEG3350, 10%DMSO, VAPOR DIFFUSION, HANGING DROP, temperature 298K |