6N90
YoeB/ParE toxin from Agrobacterium tumefaciens
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 30.955, 77.739, 36.350 |
| Unit cell angles | 90.00, 92.91, 90.00 |
Refinement procedure
| Resolution | 38.870 - 1.755 |
| R-factor | 0.2213 |
| Rwork | 0.218 |
| R-free | 0.24640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a6q |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.186 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.870 | 1.810 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.750 | 1.700 |
| Rmerge | 0.077 | 0.056 | 0.600 |
| Rmeas | 0.091 | 0.067 | 0.712 |
| Rpim | 0.049 | 0.036 | 0.379 |
| Total number of observations | 63456 | ||
| Number of reflections | 18587 | 140 | 955 |
| <I/σ(I)> | 9.4 | ||
| Completeness [%] | 97.4 | 98.8 | 92.3 |
| Redundancy | 3.4 | 3.2 | 3.3 |
| CC(1/2) | 0.995 | 0.990 | 0.721 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M Hepes pH 7.5, 5% v/v 2-Methyl-2,4-pentanediol, 10% Polyethylene glycol 6000, 1 mM TEW |
