6IJE
Crystal structure of the type VI amidase immunity (Tai4) from Agrobacterium tumefaciens
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-05-19 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.921, 57.756, 71.465 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.960 - 1.550 |
R-factor | 0.1753 |
Rwork | 0.174 |
R-free | 0.19750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zfi |
RMSD bond length | 0.013 |
RMSD bond angle | 1.794 |
Data reduction software | DIALS |
Data scaling software | Aimless (0.5.27) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 53.920 | 53.920 | 1.580 |
High resolution limit [Å] | 1.550 | 8.490 | 1.550 |
Rmerge | 0.067 | 0.047 | 0.568 |
Rmeas | 0.073 | 0.052 | 0.654 |
Rpim | 0.029 | 0.021 | 0.313 |
Total number of observations | 203509 | ||
Number of reflections | 32919 | 255 | 1509 |
<I/σ(I)> | 13 | ||
Completeness [%] | 99.5 | 99.7 | 94.7 |
Redundancy | 6.2 | 5.9 | 4.2 |
CC(1/2) | 0.998 | 0.998 | 0.807 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 33 % PEG 6000, 1.5 M lithium chloride, 100 mM sodium acetate |