6KWR
Crystal structure of enterovirus 71 polymerase elongation complex (ddCTP form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-05-17 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9792 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 130.008, 76.454, 68.075 |
Unit cell angles | 90.00, 94.92, 90.00 |
Refinement procedure
Resolution | 38.227 - 2.500 |
R-factor | 0.2185 |
Rwork | 0.216 |
R-free | 0.25710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5f8g |
RMSD bond length | 0.008 |
RMSD bond angle | 1.054 |
Data reduction software | d*TREK |
Data scaling software | d*TREK (9.9.9.4D) |
Phasing software | PHASER |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.230 | 38.230 | 2.590 |
High resolution limit [Å] | 2.500 | 5.380 | 2.500 |
Rmerge | 0.075 | 0.033 | 0.463 |
Rmeas | 0.092 | 0.041 | 0.569 |
Total number of observations | 66443 | 6757 | 6635 |
Number of reflections | 22884 | 2314 | 2268 |
<I/σ(I)> | 7.6 | 23 | 1.6 |
Completeness [%] | 98.9 | 97.6 | 99.6 |
Redundancy | 2.88 | 2.91 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 8.5 | 289 | PEG 4000 |