5UBG
Catalytic core domain of Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni with bound Phosphoribosyl-ATP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2014-04-02 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.959 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.458, 80.460, 92.728 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.550 - 1.900 |
R-factor | 0.19764 |
Rwork | 0.196 |
R-free | 0.22902 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | single chain of PDB 5UB9 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.431 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.550 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.067 | 0.910 |
Number of reflections | 40502 | |
<I/σ(I)> | 23.9 | 3.2 |
Completeness [%] | 99.8 | 97.1 |
Redundancy | 10.8 | 10.5 |
CC(1/2) | 1.000 | 0.769 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293.15 | 0.1 M sodium acetate pH 5.0, 0.01 M ZnCl2, 7-10% PEG 6000, formed crystals soaked with 5 mM PR-ATP for 30-60 min |