4ZU4
X-ray structure of the 3,4-ketoisomerase domain of FdtD from Shewanella denitrificans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-13 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.405, 64.579, 112.968 |
| Unit cell angles | 90.00, 111.39, 90.00 |
Refinement procedure
| Resolution | 28.280 - 1.700 |
| R-factor | 0.17291 |
| Rwork | 0.171 |
| R-free | 0.20733 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mzu |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.937 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.052 | 0.132 |
| Number of reflections | 115507 | |
| <I/σ(I)> | 46.4 | 6.2 |
| Completeness [%] | 91.8 | 82.4 |
| Redundancy | 3.3 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292 | 16-18% PEG 8000, 200 mM NaCl, 100 mM MOPS |
