5ER0

Water-forming NADH oxidase from Lactobacillus brevis (LbNOX)

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	2014-11-13
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9999
Spacegroup name	P 1
Unit cell lengths	67.968, 86.350, 93.327
Unit cell angles	96.92, 94.07, 92.40

Refinement procedure

Resolution	48.029 - 2.406
R-factor	0.1745
Rwork	0.172
R-free	0.21530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cdu
RMSD bond length	0.002
RMSD bond angle	0.463
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.112	0.045	0.430
Rmeas	0.130	0.052	0.505
Rpim	0.066	0.026	0.264
Total number of observations	310221
Number of reflections	79832
<I/σ(I)>	5.2		2.1
Completeness [%]	98.6	99.8	96.6
Redundancy	3.9	4	3.5
CC(1/2)		0.997	0.858

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	291	10 mg/ml protein in 10 mM HEPES, pH 7.5, 100 mM NaCl mixed 1:1 (v/v) with well solution (30 % PEG 3350, 0.2 M NH4Cl).