5TPU
x-ray structure of the WlaRB TDP-quinovose 3,4-ketoisomerase from campylobacter jejuni
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-07-16 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 61 |
| Unit cell lengths | 104.600, 104.600, 93.900 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.18284 |
| Rwork | 0.179 |
| R-free | 0.24490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pa7 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.004 |
| 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 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.083 | 0.360 |
| Number of reflections | 39376 | |
| <I/σ(I)> | 12.7 | 2.8 |
| Completeness [%] | 99.7 | 99.1 |
| Redundancy | 9.5 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 100 mM HEPES, 16-18% PEG-8000, 200 mM LiCl, 5 mM TDP |
