2IBK
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 | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-07-15 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.91240 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 96.714, 100.473, 52.332 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 17.200 - 2.250 |
Rwork | 0.250 |
R-free | 0.27200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jx4 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.300 | 2.330 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.053 | 0.560 |
Number of reflections | 24724 | |
<I/σ(I)> | 25.2 | 1.8 |
Completeness [%] | 99.2 | 96.2 |
Redundancy | 4.5 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 100 mM HEPES, 100 mM calcium acetate, 12% PEG3350, 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 | PEG3350 | ||
4 | 1 | 1 | glycerol | ||
5 | 1 | 1 | HOH | ||
6 | 1 | 2 | HEPES | ||
7 | 1 | 2 | calcium acetate | ||
8 | 1 | 2 | PEG3350 | ||
9 | 1 | 2 | HOH |