1IBY

RED COPPER PROTEIN NITROSOCYANIN FROM NITROSOMONAS EUROPAEA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2000-06-22
Detector	MARRESEARCH
Wavelength(s)	0.989
Spacegroup name	H 3 2
Unit cell lengths	96.378, 96.378, 279.772
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.980 - 1.650
R-factor	0.186
Rwork	0.186
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.750
High resolution limit [Å]	1.650	1.650
Rmerge	0.060	0.343
Total number of observations	361955 *
Number of reflections	58664
Completeness [%]	97.0 *	95.2
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	296	Hepes, Citrate, 1,6 Hexanediol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 23K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	reservoir	trisodium citrate	1.4 (M)
3	1	reservoir	HEPES	0.1 (M)
4	1	reservoir	1,6-hexanediol	3 (%(w/v))