6Q26
N-Acetylmannosamine kinase from 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 | 2016-11-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9724 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 116.647, 135.149, 175.330 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.736 - 2.328 |
R-factor | 0.2017 |
Rwork | 0.197 |
R-free | 0.24000 |
Structure solution method | SAD |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | SHELXDE |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.736 | 2.412 |
High resolution limit [Å] | 2.328 | 2.328 |
Number of reflections | 867330 | 5864 |
<I/σ(I)> | 20 | |
Completeness [%] | 99.9 | |
Redundancy | 14.6 | |
CC(1/2) | 0.994 | 0.671 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | Molecular Dimensions JCSG G6: 0.2 M sodium malonate dibasic monohydrate 20% w/v PEG 3350 |