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 |
