4FS1
Base pairing mechanism of N2,3-ethenoguanine with dTTP by human polymerase iota
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-06-09 |
| Detector | MAR scanner 300 mm plate |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 97.470, 97.470, 203.541 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 84.410 - 2.500 |
| R-factor | 0.218 |
| Rwork | 0.215 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.991 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP (11.0.02) |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.410 | 2.530 |
| High resolution limit [Å] | 2.500 | 2.490 |
| Number of reflections | 20822 | |
| Completeness [%] | 99.8 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.9 | 277 | 210 microM polymerase iota, 253 microM DNA complex, 10 mM MgCl2, 20 mM dTTP; mix 1:1 ratio with precipitant, 0.1 M MES (pH 6.5), 0.3 M (NH4)2SO4, 17% PEG 5000, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
