6UBF
Role of Beta-hairpin motifs in the DNA duplex opening by the Rad4/XPC nucleotide excision repair complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-E |
| Synchrotron site | APS |
| Beamline | 21-ID-E |
| Temperature [K] | 277 |
| Detector technology | CCD |
| Collection date | 2015-12-21 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97919 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 78.723, 78.723, 403.824 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.747 - 4.597 |
| R-factor | 0.316 |
| Rwork | 0.314 |
| R-free | 0.35580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4yir |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.415 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 4.070 |
| High resolution limit [Å] | 4.000 | 10.820 | 4.000 |
| Rmerge | 0.267 | 0.695 | |
| Rmeas | 0.279 | 0.332 | |
| Rpim | 0.079 | 0.098 | 0.346 |
| Total number of observations | 166159 | ||
| Number of reflections | 7782 | 743 | 560 |
| <I/σ(I)> | 5 | ||
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 13.7 | 12.5 | 11.1 |
| CC(1/2) | 0.731 | 0.858 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 277 | 50 mM BTP-HCl, 150 mM sodium chloride, 12% isopropanol |
