7E28

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	2020-07-01
Detector	MAR CCD 130 mm
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	86.988, 134.969, 81.453
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.490 - 1.830
R-factor	0.2325
Rwork	0.231
R-free	0.26350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7e24
RMSD bond length	0.008
RMSD bond angle	0.904
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.410	1.860
High resolution limit [Å]	1.830	1.830
Rmerge	0.138	1.571
Rmeas	0.151
Rpim	0.061
Number of reflections	42165	1895
<I/σ(I)>	6.9	0.3
Completeness [%]	99.0
Redundancy	5.8
CC(1/2)	0.995	0.412

Crystallization Conditions

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