9JML

NADP-dependent oxidoreductase complexed with NADP and substrate 1

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	2021-07-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97915
Spacegroup name	P 41 21 2
Unit cell lengths	86.993, 86.993, 225.878
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.350 - 2.020
R-factor	0.1835
Rwork	0.181
R-free	0.22310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.910
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]	81.180	2.130
High resolution limit [Å]	2.020	2.020
Number of reflections	57683	8037
<I/σ(I)>	17.9
Completeness [%]	99.6
Redundancy	12.1
CC(1/2)	0.999	0.824

Crystallization Conditions

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