2VA2
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 | APS BEAMLINE 5ID-B |
| Synchrotron site | APS |
| Beamline | 5ID-B |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2007-02-17 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.139, 101.875, 111.062 |
| Unit cell angles | 90.00, 94.92, 90.00 |
Refinement procedure
| Resolution | 22.570 - 2.800 |
| R-factor | 0.211 |
| Rwork | 0.211 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bq3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.100 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.570 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.070 | 0.400 |
| Number of reflections | 27671 | |
| <I/σ(I)> | 16.3 | 3.42 |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 4.1 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | 30 MM NACL, 2%GLYCEROL, 10 MM TRIS PH 7.5, 2.5 MM CACL2, 0.5 MM DDCTP, 6% PEG 3350,0.1 MM AMMONIUM ACETATE, 0.05 CALCIUM ACETATE |
