1IBZ

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	2001-08-18
Detector	MARRESEARCH
Wavelength(s)	0.946
Spacegroup name	H 3 2
Unit cell lengths	97.585, 97.585, 283.010
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.970 - 2.300
R-factor	0.179
Rwork	0.179
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.084	0.325
Total number of observations	128504 *
Number of reflections	23593
Completeness [%]	99.4	99.3
Redundancy	5	4

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))