3HR4

Human iNOS Reductase and Calmodulin Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-09-27
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	36.600, 160.840, 127.770
Unit cell angles	90.00, 90.37, 90.00

Refinement procedure

Resolution	29.690 - 2.500
R-factor	0.237
Rwork	0.237
R-free	0.30900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tll 1niw 1fot
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS (1.2)

Data quality characteristics

	Overall
Low resolution limit [Å]	29.690
High resolution limit [Å]	2.500
Rmerge	0.065
Number of reflections	48283
<I/σ(I)>	15.5
Completeness [%]	94.6
Redundancy	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	292	PEG 8K, SODIUM ACETATE, SODIUM CHLORATE, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K