2VA3
Complex structure of Sulfolobus solfataricus DPO4 and DNA duplex containing a hydrophobic thymine isostere 2,4-difluorotoluene nucleotide in the template strand
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 | 2007-05-03 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 94.620, 103.566, 52.645 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.170 - 2.980 |
R-factor | 0.231 |
Rwork | 0.231 |
R-free | 0.28200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2uvv |
RMSD bond length | 0.011 |
RMSD bond angle | 1.800 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.170 | 3.090 |
High resolution limit [Å] | 2.980 | 2.980 |
Rmerge | 0.090 | 0.300 |
Number of reflections | 9628 | |
<I/σ(I)> | 14.3 | 4.05 |
Completeness [%] | 84.5 | 81 |
Redundancy | 3.3 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 30 MM NACL, 2%GLYCEROL, 10 MM TRIS PH 7.5, 2.5 MM CACL2, 0.5 MM DDCTP, 6% PEG 3350, 0.05 CALCIUM ACETATE |