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 |
