4F5O
Open ternary complex of R283K DNA polymerase beta with a one metal bound dCTP 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 | 2011-05-03 |
| Detector | RIGAKU SATURN 92 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.480, 78.923, 55.134 |
| Unit cell angles | 90.00, 106.61, 90.00 |
Refinement procedure
| Resolution | 22.572 - 2.000 |
| R-factor | 0.2096 |
| Rwork | 0.203 |
| R-free | 0.26730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3isb |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.057 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.000 | 2.710 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.520 | 2.000 |
| Rmerge | 0.056 | 0.117 | 0.379 |
| Number of reflections | 151838 | ||
| <I/σ(I)> | 14.29 | 2.8 | |
| Completeness [%] | 99.6 | 99.9 | 98.1 |
| Redundancy | 5.7 | 5.8 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 50mM Imidazole, 350mM Sodium Acetate, 19% PEG3350, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
