5IFF
Crystal structure of R.PabI-nonspecific DNA complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2013-11-02 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 72.893, 261.716, 65.083 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.619 - 1.900 |
| R-factor | 0.2083 |
| Rwork | 0.206 |
| R-free | 0.24810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dvy |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.296 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.2.17) |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 43.620 | 43.620 | 1.940 |
| High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
| Rmerge | 0.052 | 0.028 | 0.117 |
| Rmeas | 0.054 | 0.030 | 1.247 |
| Rpim | 0.015 | 0.010 | 0.410 |
| Total number of observations | 685056 | 3133 | 27971 |
| Number of reflections | 49388 | ||
| <I/σ(I)> | 28.5 | 71.2 | 2 |
| Completeness [%] | 99.6 | 68.5 | 99.2 |
| Redundancy | 13.9 | 8.8 | 9 |
| CC(1/2) | 1.000 | 0.999 | 0.776 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2M calcium acetate, 0.1M imidazole (pH 8.0), 10% PEG 8000 |
