8J3O
Formate dehydrogenase wild-type enzyme from Candida dubliniensis complexed with NADH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9785 |
Spacegroup name | P 1 |
Unit cell lengths | 51.402, 60.156, 120.482 |
Unit cell angles | 90.00, 90.00, 111.02 |
Refinement procedure
Resolution | 44.580 - 2.650 |
R-factor | 0.2286 |
Rwork | 0.226 |
R-free | 0.27750 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.272 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.980 | 2.770 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.222 | 0.731 |
Rmeas | 0.264 | 0.859 |
Rpim | 0.141 | 0.448 |
Total number of observations | 134537 | 17005 |
Number of reflections | 38451 | 4684 |
<I/σ(I)> | 4.1 | 1.8 |
Completeness [%] | 98.2 | |
Redundancy | 3.5 | 3.6 |
CC(1/2) | 0.944 | 0.687 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 110 mM potassium thiocyanate, PEG2000MME, 33% (w/v) |