4Q44
Polymerase-Damaged DNA Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-30 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.655, 56.934, 110.396 |
| Unit cell angles | 90.00, 94.66, 90.00 |
Refinement procedure
| Resolution | 48.210 - 2.710 |
| R-factor | 0.227 |
| Rwork | 0.225 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ir1 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.845 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.073 | 0.516 |
| Number of reflections | 29593 | |
| <I/σ(I)> | 17.9 | 2.2 |
| Completeness [%] | 99.8 | 99.2 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 298 | 0.1M ACETATE, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
