3MR5
Human DNA polymerase eta - DNA ternary complex with a CPD 1bp upstream of the active site (TT3)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2010-03-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 61 |
| Unit cell lengths | 99.125, 99.125, 81.703 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.960 - 1.800 |
| R-factor | 0.191 |
| Rwork | 0.191 |
| R-free | 0.20700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | unpublished structure |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.200 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.960 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 42014 | |
| <I/σ(I)> | 15.14 | 2.6 |
| Completeness [%] | 99.3 | 99.6 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 0.1 M MES, 5 mM MgCl2, 6-21% (w/v) PEG 2K-MME, streak/micro seeding, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MES | ||
| 2 | 1 | 1 | MgCl2 | ||
| 3 | 1 | 1 | PEG 2K-MME | ||
| 4 | 1 | 2 | MES | ||
| 5 | 1 | 2 | MgCl2 | ||
| 6 | 1 | 2 | PEG 2K-MME |
