6L1X

Quinol-dependent nitric oxide reductase (qNOR) from Neisseria meningitidis in the monomeric oxidized state with zinc complex.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2017-05-24
Detector	RAYONIX MX300HE
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	96.120, 116.680, 123.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.920 - 3.150
R-factor	0.25313
Rwork	0.250
R-free	0.30253
Structure solution method	MIR
RMSD bond length	0.004
RMSD bond angle	0.999
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.920	3.310
High resolution limit [Å]	3.100	3.100
Rmerge	0.113	0.556
Rmeas	0.141	0.700
Rpim	0.064	0.420
Number of reflections	19034	3849
<I/σ(I)>	6.5	2.2
Completeness [%]	83.3	84.5
Redundancy	4.1	4
CC(1/2)	0.997	0.284

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	50 mM HEPES pH8 26% PEG 600 (v/v) 0.5 mM zinc sulphate