9JJ4

NADP-dependent oxidoreductase complexed with NADP and substrate 1a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97915
Spacegroup name	P 41 21 2
Unit cell lengths	87.719, 87.719, 226.086
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.860 - 2.600
R-factor	0.2021
Rwork	0.199
R-free	0.26350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.015
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.780	2.740
High resolution limit [Å]	2.597	2.600
Number of reflections	28235	4021
<I/σ(I)>	14.6
Completeness [%]	100.0
Redundancy	12.8
CC(1/2)	0.998	0.789

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	PEG3350,sodium chloride,bis-tris hydrochloride