3H5X
Crystal Structure of 2'-amino-2'-deoxy-cytidine-5'-triphosphate bound to Norovirus GII RNA polymerase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-02-22 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97934 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.600, 93.700, 96.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.840 - 1.770 |
R-factor | 0.20745 |
Rwork | 0.205 |
R-free | 0.24578 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3bso |
RMSD bond length | 0.008 |
RMSD bond angle | 1.074 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.970 |
High resolution limit [Å] | 1.770 | 1.770 |
Rmerge | 0.047 | 0.670 |
Number of reflections | 65879 | |
<I/σ(I)> | 21 | |
Completeness [%] | 98.9 | 96.5 |
Redundancy | 5.94 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 160 g/L PEG 8000, 250 g/L Glycerol, 100 mM Tris-Cl, pH 7.0, 50 mM KCl, 4 mM MgCl2, 10 mM MnCl2, 14 mM mercaptoethanol, 1 g/L CHAPS, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | PEG 8000 | ||
10 | 1 | 2 | Glycerol | ||
11 | 1 | 2 | Tris-HCl | ||
12 | 1 | 2 | KCl | ||
13 | 1 | 2 | MgCl2 | ||
14 | 1 | 2 | MnCl2 | ||
15 | 1 | 2 | 2-mercaptoethanol | ||
16 | 1 | 2 | CHAPS | ||
2 | 1 | 1 | Glycerol | ||
3 | 1 | 1 | Tris-HCl | ||
4 | 1 | 1 | KCl | ||
5 | 1 | 1 | MgCl2 | ||
6 | 1 | 1 | MnCl2 | ||
7 | 1 | 1 | 2-mercaptoethanol | ||
8 | 1 | 1 | CHAPS | ||
9 | 1 | 2 | PEG 8000 |