8J3P

Formate dehydrogenase mutant from from Candida dubliniensis M4 complexed with NADP+

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	2023-03-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	C 2 2 21
Unit cell lengths	65.216, 113.022, 401.288
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.440 - 2.300
R-factor	0.2331
Rwork	0.230
R-free	0.28260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.868
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.240	2.350
High resolution limit [Å]	2.300	2.300
Rmerge	0.070	0.389
Rmeas	0.073	0.405
Rpim	0.021	0.114
Total number of observations	838613	55675
Number of reflections	66608	4450
<I/σ(I)>	23.9	6.7
Completeness [%]	100.0
Redundancy	12.6	12.5
CC(1/2)	0.999	0.974

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M Sodium Chloride, 0.1 M Sodium cacodylate pH 6.5, 2 M Ammonium sulfate