9JI7

NADP-dependent oxidoreductase complexed with NADP and substrate 2

This is a non-PDB format compatible entry.

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	2021-07-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97915
Spacegroup name	P 41 21 2
Unit cell lengths	87.275, 87.275, 226.042
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.530 - 2.530
R-factor	0.1959
Rwork	0.193
R-free	0.24380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.969
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.420	2.670
High resolution limit [Å]	2.530	2.530
Rmerge	0.170
Number of reflections	30090	4285
<I/σ(I)>	13.6
Completeness [%]	100.0
Redundancy	12.9
CC(1/2)		0.811

Crystallization Conditions

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