6S6H
Crystal structure of the DNA binding domain of the chromosome-partitioning protein ParB complexed to the centromeric parS site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-24 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 127.099, 40.717, 94.004 |
| Unit cell angles | 90.00, 121.40, 90.00 |
Refinement procedure
| Resolution | 40.120 - 2.400 |
| R-factor | 0.2169 |
| Rwork | 0.216 |
| R-free | 0.23220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4umk |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.087 |
| Data reduction software | DIALS (1.11.4) |
| Data scaling software | DIALS (1.11.4) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.120 | 40.120 | 2.490 |
| High resolution limit [Å] | 2.400 | 8.980 | 2.400 |
| Rmerge | 0.137 | 0.100 | 0.801 |
| Rmeas | 0.150 | 0.109 | 0.869 |
| Rpim | 0.058 | 0.042 | 0.333 |
| Total number of observations | 105021 | 2082 | 10942 |
| Number of reflections | 16317 | 356 | 1662 |
| <I/σ(I)> | 7 | 16 | 2 |
| Completeness [%] | 99.7 | 99.2 | 99.2 |
| Redundancy | 6.4 | 5.8 | 6.6 |
| CC(1/2) | 0.992 | 0.993 | 0.850 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | NULL |
