3LAI

Structural insights into the molecular mechanism of H-NOX activation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9765
Spacegroup name	P 21 21 21
Unit cell lengths	61.354, 86.502, 122.749
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.341 - 2.144
R-factor	0.225
Rwork	0.224
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1u55
RMSD bond length	0.023
RMSD bond angle	1.564
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.220
High resolution limit [Å]	2.100	2.140
Number of reflections	36578
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	20% PEG 3350, 0.2 M Potassium Chloride, seeding, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K