7OFY
Crystal structure of SQ binding protein from Agrobacterium tumefaciens in complex with sulfoquinovosyl glycerol (SQGro)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-17 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.953664 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.795, 137.802, 54.068 |
Unit cell angles | 90.00, 118.71, 90.00 |
Refinement procedure
Resolution | 47.181 - 1.700 |
R-factor | 0.1511 |
Rwork | 0.149 |
R-free | 0.18320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6dtq |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.3) |
Phasing software | PHASER (2.8.1) |
Refinement software | PHENIX (1.13) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.190 | 47.190 | 1.730 |
High resolution limit [Å] | 1.700 | 9.000 | 1.700 |
Rmerge | 0.075 | 0.020 | 0.843 |
Rmeas | 0.090 | 0.023 | 1.000 |
Rpim | 0.048 | 0.012 | 0.532 |
Total number of observations | 254947 | 1743 | 13319 |
Number of reflections | 74322 | 518 | 3912 |
<I/σ(I)> | 9.8 | 35.9 | 1.4 |
Completeness [%] | 98.3 | 98 | 96.8 |
Redundancy | 3.4 | 3.4 | 3.4 |
CC(1/2) | 0.998 | 0.999 | 0.561 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 32% PEG 4000, 0.2 M sodium acetate, 0.1 M Tris chloride, pH9 |