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 |