8XVO

Crystal structure of a short-chain dehydrogenase/reductase 16 (SDR16) from Antrodia camphorata

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-21
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	58.359, 69.548, 77.169
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.907 - 1.946
R-factor	0.1821
Rwork	0.181
R-free	0.20320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.836
Data scaling software	Aimless
Refinement software	PHENIX ((1.16_3549: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.660	2.050
High resolution limit [Å]	1.940	1.950
Rmerge	0.073	0.430
Rmeas	0.079	0.485
Rpim	0.030	0.219
Total number of observations		15544
Number of reflections	23687	3390
<I/σ(I)>	13.9	3
Completeness [%]	99.9
Redundancy	6.5	4.6
CC(1/2)	0.998	0.876

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	30% (w/v) PEG 5000 MME, 100mM MES/ Sodium hydroxide pH 6.5, 200mM Ammonium sulfate