2P1D
Crystal structure of dengue methyltransferase in complex with GTP and S-Adenosyl-L-homocysteine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Wavelength(s) | 0.993 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 112.198, 112.198, 56.462 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.900 |
R-factor | 0.2107 |
R-free | 0.24570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1l9k |
RMSD bond length | 0.007 |
RMSD bond angle | 1.350 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.060 |
High resolution limit [Å] | 2.900 | 2.900 |
Number of reflections | 9310 | |
<I/σ(I)> | 30 | 5.3 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 4.1 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 293 | 0.4 M Ammonium Sulfate, 0.1 M Sodium Citrate, 1.2 M Lithium Sulfate, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |