5VN0

Water-forming NADH oxidase from Lactobacillus brevis (LbNOX) bound to NADH.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-08-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97007
Spacegroup name	P 1
Unit cell lengths	96.525, 107.511, 119.298
Unit cell angles	63.37, 90.04, 89.95

Refinement procedure

Resolution	42.948 - 2.001
R-factor	0.1818
Rwork	0.179
R-free	0.22480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5er0
RMSD bond length	0.006
RMSD bond angle	0.837
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.104	0.031	0.735
Rmeas	0.121	0.036	0.857
Rpim	0.062	0.018	0.440
Total number of observations	1096258
Number of reflections	282997
<I/σ(I)>	6
Completeness [%]	98.1	99.6	96.8
Redundancy	3.9	4	3.7
CC(1/2)		0.999	0.817

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294.15	Crystalls were grown in 20% PEG 3350, 0.2M NH4Cl, soaked briefly for 1-3 min in the formulation with 20-30mM NADH and quickly frozen.