2IA6
Bypass of Major Benzopyrene-dG Adduct by Y-Family DNA Polymerase with Unique Structural Gap
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-11-23 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97934 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 98.217, 102.580, 106.147 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.500 |
Rwork | 0.216 |
R-free | 0.24700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jx4 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.500 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.073 | 0.670 |
Number of reflections | 37640 | |
<I/σ(I)> | 25.8 | 2.1 |
Completeness [%] | 99.7 | 98 |
Redundancy | 6.6 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 100 mM HEPES, 100 mM calcium acetate, 12% polyethylene glycol 3350, 2% glycerol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | HEPES | ||
2 | 1 | 1 | calcium acetate | ||
3 | 1 | 1 | polyethylene glycol | ||
4 | 1 | 1 | glycerol | ||
5 | 1 | 1 | HOH | ||
6 | 1 | 2 | HEPES | ||
7 | 1 | 2 | calcium acetate | ||
8 | 1 | 2 | polyethylene glycol | ||
9 | 1 | 2 | HOH |