3PC6
X-ray crystal structure of the second XRCC1 BRCT domain.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-08-16 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.230, 56.850, 100.380 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.625 - 1.900 |
| R-factor | 0.1823 |
| Rwork | 0.180 |
| R-free | 0.22660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cdz |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.863 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.6_289) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
| Rmerge | 0.062 | 0.034 | 0.231 |
| Number of reflections | 20146 | ||
| <I/σ(I)> | 14.6 | ||
| Completeness [%] | 97.4 | 99.6 | 82.8 |
| Redundancy | 5.1 | 5.1 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.6M NaFormate, 0.2M NaHEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
