7CPW
Complex structure of DNA with self-catalyzed depurination activity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NFPSS BEAMLINE BL19U1 |
| Synchrotron site | NFPSS |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2019-10-30 |
| Detector | RDI CMOS_8M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 2 2 21 |
| Unit cell lengths | 51.049, 64.544, 172.673 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.356 - 2.849 |
| R-factor | 0.1987 |
| Rwork | 0.196 |
| R-free | 0.25540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5hrb |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.781 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.950 |
| High resolution limit [Å] | 2.849 | 2.850 |
| Rmerge | 0.136 | 0.513 |
| Number of reflections | 13544 | 1282 |
| <I/σ(I)> | 16 | 1.8 |
| Completeness [%] | 97.6 | 93.9 |
| Redundancy | 7.3 | |
| CC(1/2) | 0.965 | 0.330 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | PEG 3350, sodium chloride, Tris-HCl |
