6DIA
DNA polymerase beta substrate complex with templating cytosine and incoming Fapy-dGTP analog
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-04-30 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.947, 80.584, 55.314 |
| Unit cell angles | 90.00, 109.94, 90.00 |
Refinement procedure
| Resolution | 22.571 - 1.969 |
| R-factor | 0.1995 |
| Rwork | 0.196 |
| R-free | 0.24620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3isb |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 2.000 |
| High resolution limit [Å] | 1.970 | 5.330 | 1.970 |
| Rmerge | 0.069 | 0.034 | 0.686 |
| Rmeas | 0.075 | 0.036 | 0.824 |
| Rpim | 0.030 | 0.013 | 0.451 |
| Total number of observations | 188198 | ||
| Number of reflections | 32111 | 1641 | 1592 |
| <I/σ(I)> | 13 | ||
| Completeness [%] | 99.9 | 99.3 | 100 |
| Redundancy | 5.9 | 7.3 | 3.3 |
| CC(1/2) | 0.999 | 0.621 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 50 mM imidazole, 350 mM sodium chloride, 15% PEG3350, pH 8.0 |
