6XJ7
Crystal structure of the helical cell shape determining protein Pgp2 (K307A mutant) from Campylobacter jejuni
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-12-15 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.974 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 64.930, 89.760, 106.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.364 - 1.850 |
R-factor | 0.1661 |
Rwork | 0.164 |
R-free | 0.20250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xzz |
RMSD bond length | 0.010 |
RMSD bond angle | 0.964 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (v1.12-2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.364 | 41.364 | 1.900 |
High resolution limit [Å] | 1.850 | 8.270 | 1.850 |
Rmerge | 0.102 | 0.043 | 0.868 |
Rmeas | 0.110 | 0.046 | 0.933 |
Total number of observations | 396576 | ||
Number of reflections | 53923 | 684 | 3945 |
<I/σ(I)> | 13.12 | 32.59 | 2.25 |
Completeness [%] | 100.0 | 98.8 | 100 |
Redundancy | 7.354 | 6.216 | 7.44 |
CC(1/2) | 0.998 | 0.997 | 0.829 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | 25.5 % (w/v) PEG4K, 15 % (v/v) glycerol, 0.17 M ammonium acetate, and 0.085 M sodium acetate pH 4.6 |