5UBH
Catalytic core domain of Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni with bound 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 | 2013-11-26 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.959 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.166, 79.921, 92.245 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.948 - 2.000 |
R-factor | 0.20928 |
Rwork | 0.207 |
R-free | 0.25695 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | single chain of PDB 5UB9 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.562 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.082 | 0.549 |
Number of reflections | 33714 | |
<I/σ(I)> | 13.6 | 3.3 |
Completeness [%] | 99.8 | 100 |
Redundancy | 7.9 | 8.1 |
CC(1/2) | 0.998 | 0.948 |
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 were soaked with 3 mM ATP for 30-60 min |