2JEI
The Molecular Basis of Selectivity of Nucleoside Triphosphate Incorporation Opposite O6-Benzylguanine by Sulfolobus solfataricus DNA Polymerase IV: Steady-state and Pre-steady-state Kinetics and X- Ray Crystallography of Correct and Incorrect Pairing
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2006-07-25 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 94.492, 103.717, 52.621 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.100 - 2.390 |
R-factor | 0.236 |
Rwork | 0.236 |
R-free | 0.27100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2j6u |
RMSD bond length | 0.007 |
RMSD bond angle | 1.500 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.100 | 2.490 |
High resolution limit [Å] | 2.390 | 2.390 |
Rmerge | 0.080 | 0.580 |
Number of reflections | 20842 | |
<I/σ(I)> | 42.9 | 2.2 |
Completeness [%] | 99.0 | 95.5 |
Redundancy | 14.7 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 298 | 10% POLYETHYLENE GLYCOL (W/V), 100 MM CALCIUM ACETATE, 25 MM TRIS HCL PH 7.4, 50 MM NACL, 5 MM CALCIUM CHLORIDE, 1 MM DGTP, 2.5% GLYCEROL (V/V), AT 25 DEGREES CELSIUS. |