6TB6
Crystal structure of formate dehydrogenase FDH2 D222S/Q223R enzyme from Granulicella mallensis MP5ACTX8 in complex with NADP and azide.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-01 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 48.903, 60.783, 131.682 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.585 - 1.980 |
| R-factor | 0.1563 |
| Rwork | 0.154 |
| R-free | 0.20640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6t8c |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.670 | 2.040 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.077 | 0.259 |
| Number of reflections | 207048 | 2791 |
| <I/σ(I)> | 16.7 | 6.3 |
| Completeness [%] | 99.9 | |
| Redundancy | 7.3 | 7.46 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.005 M Cobalt(II) chloride hexahydrate, 0.005 M Cadmium chloride hemi(pentahydrate), 0.005 M Magnesium chloride hexahydrate, 0.005 M Nickel(II) chloride hexahydrate, 0.1 M HEPES pH 7.5, 12 % w/v PEG 3350 |
