7E3X

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-12-25
Detector	MAR CCD 130 mm
Wavelength(s)	0.979
Spacegroup name	P 21 2 21
Unit cell lengths	68.464, 71.167, 115.158
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.760 - 2.580
Rwork	0.192
R-free	0.25480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5t2u
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.580	2.600
Number of reflections	17891	821
<I/σ(I)>	1.6	1.4
Completeness [%]	97.7
Redundancy	4.8
CC(1/2)	0.948	0.570

Crystallization Conditions

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