4U6P
Structural mechanism of error-free bypass of major benzo[a]pyrene adduct by human polymerase kappa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2012-05-10 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.150, 129.286, 167.713 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.233 - 2.593 |
| R-factor | 0.2011 |
| Rwork | 0.200 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oh2 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.180 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.233 | 2.610 |
| High resolution limit [Å] | 2.480 | 2.480 |
| Rmerge | 0.059 | 0.535 |
| Number of reflections | 50663 | |
| <I/σ(I)> | 18 | 2.2 |
| Completeness [%] | 96.5 | 89.5 |
| Redundancy | 5.5 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295.15 | PEG 400 and potassium acetate |
