5K8C
X-ray structure of KdnB, 3-deoxy-alpha-D-manno-octulosonate 8-oxidase, from Shewanella oneidensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-06-15 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 107.594, 107.594, 149.861 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 93.180 - 1.850 |
R-factor | 0.18052 |
Rwork | 0.179 |
R-free | 0.21811 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3rf7 |
RMSD bond length | 0.011 |
RMSD bond angle | 2.042 |
Data reduction software | SAINT |
Data scaling software | SADABS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 93.180 | 1.950 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.083 | 0.399 |
Number of reflections | 44036 | |
<I/σ(I)> | 11.2 | 3.1 |
Completeness [%] | 99.3 | 99 |
Redundancy | 7.6 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | 7-9% PEG-8000, 100 mM homopipes, 1 M tetramethylammonium chloride |