2XCA
TERNARY COMPLEX OF SULFOLOBUS SOLFATARICUS DPO4 DNA POLYMERASE, 7,8- DIHYDRO-8-OXODEOXYGUANINE MODIFIED DNA AND dGTP - MAGNESIUM FORM
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 | 2007-02-05 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 94.443, 103.909, 52.707 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.130 - 2.500 |
R-factor | 0.22 |
Rwork | 0.220 |
R-free | 0.25900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2c22 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.400 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.130 | 2.660 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.060 | 0.490 |
Number of reflections | 18457 | |
<I/σ(I)> | 21.3 | 4.2 |
Completeness [%] | 99.6 | 99.9 |
Redundancy | 5.8 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | RESERVOIR: 12-20% POLYETHYLENE GLYCOL 3350, 0.2 M AMMONIUM ACETATE, 0.1 M MAGNESIUM ACETATE, 20 MM TRIS (PH 7.5) DROP: 10MM TRIS-CL PH 7.5, 30 MM NACL, 0.5MM DGTP, 2.5MM MGCL2, 6-10% POLYETHYLENE GLYCOL 3350 0.1M AMMONIUM ACETATE, 0.05M MAGNESIUM ACETATE |