4WM7
Crystal Structure of Human Enterovirus D68 in Complex with Pleconaril
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-08-24 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9787 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 323.200, 346.100, 355.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.990 - 2.320 |
Rwork | 0.235 |
R-free | 0.24000 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS (1.3) |
Refinement software | CNS (1.3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.400 |
High resolution limit [Å] | 2.320 | 5.000 | 2.320 |
Rmerge | 0.077 | 0.063 | 0.185 |
Rmeas | 0.100 | 0.079 | 0.250 |
Rpim | 0.062 | 0.047 | 0.167 |
Total number of observations | 620140 | ||
Number of reflections | 399300 | ||
<I/σ(I)> | 9.6 | ||
Completeness [%] | 47.2 | 62.1 | 31.3 |
Redundancy | 1.6 | 1.9 | 1.2 |
CC(1/2) | 0.987 | 0.669 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1M Sodium Acetate (pH 4.5), 3.5M Sodium Formate | |
2 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1M Sodium Acetate (pH 4.5), 3.5M Sodium Formate |