3GDX
Dna polymerase beta with a gapped DND substrate and dTMP(CF2)PP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-19 |
| Detector | RIGAKU SATURN 92 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.500, 79.700, 55.300 |
| Unit cell angles | 90.00, 107.90, 90.00 |
Refinement procedure
| Resolution | 20.580 - 2.200 |
| R-factor | 0.208 |
| Rwork | 0.208 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fms |
| 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 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.098 | 0.438 |
| Number of reflections | 18597 | |
| <I/σ(I)> | 9.2 | 2.28 |
| Completeness [%] | 86.4 | 82.2 |
| Redundancy | 2.3 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 100 mM IMIDAZOLE,pH 8.0, SODIUM ACETATE 350 mM, PEG2000 MONOMETHYL ETHER 20%, 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 | PEG2000 | ||
| 4 | 1 | 1 | MONOMETHYL ETHER | ||
| 5 | 1 | 2 | SODIUM ACETATE | ||
| 6 | 1 | 2 | PEG2000 | ||
| 7 | 1 | 2 | MONOMETHYL ETHER |
