2W3O
Crystal structure of the human PNKP FHA domain in complex with an XRCC1-derived phosphopeptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-04 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 3 |
| Unit cell lengths | 56.900, 56.900, 62.770 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 62.750 - 1.850 |
| R-factor | 0.181 |
| Rwork | 0.178 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2brf |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.720 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.750 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.070 | 0.300 |
| Number of reflections | 19211 | |
| <I/σ(I)> | 5.78 | 2.43 |
| Completeness [%] | 99.0 | 95.3 |
| Redundancy | 3.37 | 2.12 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 0.1 M TRIS-HCL PH 8.5, 0.25 M CACL2, 28% W/V PEG 4000, 0.2 M NDSB-221 |
