3E7T

Structure of murine iNOS oxygenase domain with inhibitor AR-C102222

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	1998-02-16
Detector	ADSC QUANTUM 4
Spacegroup name	P 61 2 2
Unit cell lengths	214.156, 214.156, 116.950
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.990 - 2.600
Rwork	0.232
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.064	0.407
Number of reflections	44360
<I/σ(I)>		2.7
Completeness [%]	96.2	93.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	LITHIUM SULFATE, MES, BOG, PH 6.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K