8C2P
FMDV 3D polymerase in complex with 3B3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-12-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 93.512, 93.512, 100.339 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.760 - 1.850 |
R-factor | 0.2436 |
Rwork | 0.243 |
R-free | 0.26230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wne |
RMSD bond length | 0.009 |
RMSD bond angle | 1.030 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | DM |
Refinement software | PHENIX (1.20rc4_4425) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.760 | 1.916 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.055 | 0.971 |
Number of reflections | 43448 | 4227 |
<I/σ(I)> | 18.93 | 2.49 |
Completeness [%] | 99.3 | 98.62 |
Redundancy | 6.3 | 6.4 |
CC(1/2) | 0.992 | 0.799 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2M magnesium acetate 25% PEG 4K 0.1M HEPES pH 6.5 4% butyrolactone. |