2CZ6

Complex of Inactive Fe-type NHase with Cyclohexyl isocyanide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-06-28
Detector	MAR CCD 165 mm
Wavelength(s)	0.7
Spacegroup name	C 1 2 1
Unit cell lengths	114.917, 60.477, 81.796
Unit cell angles	90.00, 124.92, 90.00

Refinement procedure

Resolution	33.540 - 1.500
R-factor	0.153
Rwork	0.153
R-free	0.15700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.500
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.540	1.540
High resolution limit [Å]	1.500	1.490
Number of reflections	74297
Completeness [%]	98.4	93.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	PEG8000, magnesium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K