3E7I

Structure of murine inos oxygenase domain with inhibitor AR-C94864

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	1997-12-29
Detector	ADSC QUANTUM 4
Spacegroup name	P 61 2 2
Unit cell lengths	213.967, 213.967, 113.130
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.990 - 2.900
Rwork	0.239
R-free	0.29500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.055	0.408
Number of reflections	32106
Completeness [%]	94.0	93.3
Redundancy	4.5	3.7

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