6Q28
Metal ROK rebel: Characterisation of N-acetylmannosamine kinase from the pathogen Staphylococcus aureus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2018-02-24 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.954 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.880, 101.968, 133.275 |
Unit cell angles | 90.00, 90.14, 90.00 |
Refinement procedure
Resolution | 47.880 - 2.200 |
R-factor | 0.2101 |
Rwork | 0.208 |
R-free | 0.25030 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.880 | 2.279 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 64898 | 6477 |
<I/σ(I)> | 5.3 | |
Completeness [%] | 99.8 | |
Redundancy | 3.9 | |
CC(1/2) | 0.881 | 0.701 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 0.2 M L-arginine, 0.1 M sodium acetate, 8% w/v poly-gamma-glutamic acid |