3NGD
Structural Basis for Proficient Incorporation of dTTP Opposite O6-methylguanine by Human DNA Polymerase Iota
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-09-03 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 97.999, 97.999, 202.552 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 80.000 - 2.800 |
| R-factor | 0.21836 |
| Rwork | 0.215 |
| R-free | 0.28377 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ALZ minus DNA |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.695 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.174 | 0.872 |
| Number of reflections | 14304 | |
| <I/σ(I)> | 11.2 | 1.1 |
| Completeness [%] | 96.8 | 86.7 |
| Redundancy | 17.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.2 M ammonium sulfate, 12.5% PEG 5000 monomethylether, 0.1 M MES buffer, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
