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)