1VAG

Neuronal nitric oxide synthase oxygenase domain complexed with the inhibitor AR-R17477

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2001-10-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.969
Spacegroup name	C 2 2 21
Unit cell lengths	45.269, 109.199, 164.885
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.000
R-factor	0.1948
Rwork	0.193
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qw6
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.100
High resolution limit [Å]	2.000	2.000
Number of reflections	26632
<I/σ(I)>	13.5	5.4
Completeness [%]	94.5	91.4
Redundancy	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	HEPES, DTT, PEG3350, EPPS, NACL, GLYCEROL, beta-MERCAPTOETHANOL, AR-R17477, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K