6Y4D

Crystal structure of a short-chain dehydrogenase/reductase (SDR) from Zephyranthes treatiae in complex with NADP+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 42 21 2
Unit cell lengths	95.900, 95.900, 136.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.715 - 2.100
R-factor	0.2092
Rwork	0.207
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5feu
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.715	60.715	2.200
High resolution limit [Å]	2.100	50.000	2.100
Rmerge	0.130	0.052	2.562
Rmeas	0.141	0.064	2.770
Total number of observations	252798
Number of reflections	37479	2	4750
<I/σ(I)>	10.75	30.84	1.15
Completeness [%]	99.1	40	98.5
Redundancy	6.745	2.5	6.859
CC(1/2)	0.999		0.584

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	pentaerythritol propoxylate, 100 mM MES pH 6.5