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 |