4RT3
Ternary complex crystal structure of DNA polymerase Beta with (alpha, beta)-NH-(beta,gamma)-CH2-dTTP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-02-07 |
| Detector | RIGAKU SATURN 92 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.735, 79.909, 55.337 |
| Unit cell angles | 90.00, 107.52, 90.00 |
Refinement procedure
| Resolution | 22.258 - 1.920 |
| R-factor | 0.1829 |
| Rwork | 0.180 |
| R-free | 0.22560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fms |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.039 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.990 |
| High resolution limit [Å] | 1.920 | 4.140 | 1.920 |
| Rmerge | 0.079 | 0.056 | 0.479 |
| Number of reflections | 28973 | ||
| <I/σ(I)> | 16.6 | ||
| Completeness [%] | 89.8 | 98.5 | 48 |
| Redundancy | 3.3 | 3.7 | 2 |
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 % PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
