5EC8
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND COMPOUND BF175
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-07-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97934 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 61.160, 186.500, 51.610 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.160 - 1.714 |
R-factor | 0.1682 |
Rwork | 0.167 |
R-free | 0.19660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3p97 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.960 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.160 | 1.760 |
High resolution limit [Å] | 1.714 | 1.710 |
Number of reflections | 63201 | |
<I/σ(I)> | 8.55 | 1.33 |
Completeness [%] | 98.1 | 90.9 |
Redundancy | 4.04 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 25% PEG 8000 100 mM Tris 200 mM NaCl 20 mM Tri-sodium citrate |