3BSN
Norwalk Virus polymerase bound to 5-nitrocytidine triphosphate and primer-template RNA
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 | 2007-10-09 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97934 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.310, 93.850, 96.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.710 - 1.800 |
R-factor | 0.20251 |
Rwork | 0.201 |
R-free | 0.23585 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sh0 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.000 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.970 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.079 | 0.614 |
Number of reflections | 58959 | |
<I/σ(I)> | 13.7 | 2.3 |
Completeness [%] | 93.6 | 78.3 |
Redundancy | 4.8 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 16% (w/v) PEG 8000, 25% (w/v) glycerol, 100 mM Tris-HCl, 50 mM KCl, 4 mM MgCl2, 10 mM MnCl2, 14 mM 2-mercaptoethanol, 0.1% (w/v) CHAPS, 0.5 mM RNA duplex, 1 mM NTP, 0.03 mM polymerase, pH 7.0, 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 | PEG 8000 | ||
11 | 1 | 2 | glycerol | ||
12 | 1 | 2 | Tris-HCl | ||
13 | 1 | 2 | KCl | ||
14 | 1 | 2 | MgCl2 | ||
15 | 1 | 2 | MnCl2 | ||
16 | 1 | 2 | 2-mercaptoethanol | ||
17 | 1 | 2 | CHAPS | ||
18 | 1 | 2 | NTP | ||
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 | 1 | NTP |