4R05
Crystal structure of the refolded DENV3 methyltransferase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-05-13 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 |
Unit cell lengths | 44.688, 48.386, 68.073 |
Unit cell angles | 79.11, 78.75, 69.71 |
Refinement procedure
Resolution | 33.092 - 2.100 |
R-factor | 0.2526 |
Rwork | 0.250 |
R-free | 0.30720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3p8z |
RMSD bond length | 0.004 |
RMSD bond angle | 0.821 |
Data reduction software | CrystalClear |
Data scaling software | CrystalClear |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.123 | 0.450 |
Number of reflections | 28779 | |
<I/σ(I)> | 3.9 | 1.3 |
Completeness [%] | 94.9 | 92.7 |
Redundancy | 2.1 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 50 mM sodium citrate, pH 5.6, 24-30% PEG 4,000, 5% saturated ammonium sulfate, 10% glycerol, 0-20% DMSO, and 5 mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 298K |