9EZT

XFEL structure of hNQO1 mixed with NADH for 1.2 s

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	EUROPEAN XFEL BEAMLINE SPB/SFX
Synchrotron site	European XFEL
Beamline	SPB/SFX
Temperature [K]	298
Detector technology	PIXEL
Collection date	2022-12-09
Detector	AGIPD
Wavelength(s)	1.7712
Spacegroup name	P 21 21 21
Unit cell lengths	61.500, 107.800, 198.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.470 - 2.500
R-factor	0.19467
Rwork	0.192
R-free	0.25009
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.308
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.470	2.560
High resolution limit [Å]	2.500	2.500
Number of reflections	43444	43444
<I/σ(I)>	2.8
Completeness [%]	98.3
Redundancy	115
CC(1/2)		0.546

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	8.5	298	0.1 M Tris pH 8.5, 0.2 M sodium acetate, 25% polyethylene glycol (PEG) 3350