3ISD
Ternary complex of human DNA polymerase beta with an abasic site (THF): DAPCPP mismatch
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-01 |
| Detector | RIGAKU SATURN 92 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.700, 77.640, 55.220 |
| Unit cell angles | 90.00, 113.67, 90.00 |
Refinement procedure
| Resolution | 21.190 - 2.600 |
| R-factor | 0.195 |
| Rwork | 0.195 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c2m |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.100 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.078 | 0.330 |
| Number of reflections | 21464 | |
| <I/σ(I)> | 16.1 | 3.4 |
| Completeness [%] | 99.6 | 99.3 |
| Redundancy | 3.5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 50 mM Imidazole pH 7.5, 350 mM Sodium acetate, 18% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Imidazole | ||
| 2 | 1 | 1 | Sodium acetate | ||
| 3 | 1 | 1 | PEG 3350 | ||
| 4 | 1 | 2 | Imidazole | ||
| 5 | 1 | 2 | Sodium acetate | ||
| 6 | 1 | 2 | PEG 3350 |
