5CHI
Crystal structure of PF2046 in complex with ssDNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-10 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.010, 85.903, 69.204 |
| Unit cell angles | 90.00, 118.44, 90.00 |
Refinement procedure
| Resolution | 34.588 - 2.472 |
| R-factor | 0.186 |
| Rwork | 0.182 |
| R-free | 0.22780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4o8u |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.358 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.620 | |
| High resolution limit [Å] | 2.470 | 7.370 | 2.470 |
| Rmerge | 0.133 | 0.046 | 0.709 |
| Rmeas | 0.145 | 0.050 | 0.776 |
| Total number of observations | 162455 | ||
| Number of reflections | 24745 | 1004 | 3319 |
| <I/σ(I)> | 12.54 | 36.74 | 2.1 |
| Completeness [%] | 96.5 | 98.6 | 80.8 |
| Redundancy | 6.57 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1M sodium malonate, 0.1M Tris pH 8.0, 30% (w/v) PEG 1000 |
