6JUK
Crystal structure of Formate dehydrogenase mutant C256I/E261P/S381I from Pseudomonas sp. 101 in complex with non-natural cofactor Nicotinamide Cytosine Dinucleotide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-12-27 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.038, 54.181, 102.828 |
| Unit cell angles | 90.00, 99.72, 90.00 |
Refinement procedure
| Resolution | 39.371 - 2.293 |
| R-factor | 0.1608 |
| Rwork | 0.159 |
| R-free | 0.20510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2go1 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.021 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.15.2_3472: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.370 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmerge | 0.195 | |
| Number of reflections | 37126 | 3136 |
| <I/σ(I)> | 9.16 | 2.86 |
| Completeness [%] | 96.6 | 81.86 |
| Redundancy | 6.2 | 4.9 |
| CC(1/2) | 0.950 | 0.798 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 300 | 0.2 M Ammonium sulfate, 0.1 M MES monohydrate pH 6.5, 30% w/v Polyethylene glycol monomethyl ether 5,000 |
