7E24

Crystal structure of SDR family NAD(P)-dependent oxidoreductase from Exiguobacterium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-07-01
Detector	MAR CCD 130 mm
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	71.332, 68.664, 114.675
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.261 - 2.720
Rwork	0.208
R-free	0.26240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5t2u
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.080	2.790
High resolution limit [Å]	2.720	2.720
Rmerge	0.186	0.534
Rpim	0.137	0.513
Number of reflections	30050	2115
<I/σ(I)>	6.7
Completeness [%]	99.9
Redundancy	3.4
CC(1/2)	0.949	0.712

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	PEG 3350, Tris