2I9G
DNA Polymerase Beta with a Benzo[c]phenanthrene diol epoxide adducted guanine base
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-09-02 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.550, 78.900, 54.950 |
| Unit cell angles | 90.00, 105.63, 90.00 |
Refinement procedure
| Resolution | 31.630 - 2.100 |
| R-factor | 0.2 |
| Rwork | 0.200 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bpx |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.114 | 0.740 |
| Number of reflections | 26207 | |
| Completeness [%] | 99.7 | 99.1 |
| Redundancy | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.1M HEPES, pH 7.50, 20% PEG 3000, 0.2M Sodium Chloride, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | HEPES | ||
| 2 | 1 | 1 | PEG 3000 | ||
| 3 | 1 | 1 | Sodium Chloride | ||
| 4 | 1 | 1 | H2O | ||
| 5 | 1 | 2 | HEPES | ||
| 6 | 1 | 2 | PEG 3000 | ||
| 7 | 1 | 2 | Sodium Chloride |
