5K8B
X-ray structure of KdnA, 8-amino-3,8-dideoxy-alpha-D-manno-octulosonate transaminase, from Shewanella oneidensis in the presence of the external aldimine with PLP and glutamate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-09-22 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 266.628, 61.675, 99.636 |
| Unit cell angles | 90.00, 102.03, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.150 |
| R-factor | 0.1742 |
| Rwork | 0.171 |
| R-free | 0.22571 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3frk |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.126 |
| 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] | 50.000 | 2.250 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.078 | 0.254 |
| Number of reflections | 83041 | |
| <I/σ(I)> | 7.8 | 2.4 |
| Completeness [%] | 95.8 | 89.4 |
| Redundancy | 2.9 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 295 | 16-21% PEG-3350, 100 mM MES, 200 mM KCl, 150 mM MgCl2, 1 mM PLP, 50 mM monosodium glutamate |
