6L2N
Crystal structure of the R.PabI(Y68F-K154A)-dsDNA(GTAC-3bp-GTAC) complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2017-03-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98000 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 83.682, 83.682, 140.346 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.840 - 2.450 |
| R-factor | 0.2303 |
| Rwork | 0.229 |
| R-free | 0.25570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5iff |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.602 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.12) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.840 | 41.840 | 2.550 |
| High resolution limit [Å] | 2.450 | 8.840 | 2.450 |
| Rmerge | 0.044 | 0.024 | 0.691 |
| Rmeas | 0.050 | 0.027 | 0.781 |
| Rpim | 0.023 | 0.013 | 0.354 |
| Total number of observations | 2186 | 9254 | |
| Number of reflections | 20923 | 507 | 2058 |
| <I/σ(I)> | 16 | 45.3 | 1.9 |
| Completeness [%] | 97.7 | 96.9 | 86.8 |
| Redundancy | 4.7 | 4.3 | 4.5 |
| CC(1/2) | 0.999 | 0.999 | 0.866 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 293 | 0.1 M Bis-Tris pH 5.9, 51% 2-methyl-2,4-pentanediol |
