1IC0

RED COPPER PROTEIN NITROSOCYANIN FROM NITROSOMONAS EUROPAEA

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	1999-12-22
Detector	MARRESEARCH
Wavelength(s)	1.41097,1.38035,1.37957,1.3495
Spacegroup name	P 21 21 21
Unit cell lengths	90.903, 92.708, 97.201
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.260 - 2.100
R-factor	0.215
Rwork	0.215
R-free	0.24700
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	500.000 *	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.046 *	0.180
Total number of observations	570947 *
Number of reflections	41643
Completeness [%]	98.1	99.6 *
Redundancy	13.7	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	296	Hepes, Citrate, Jeffamine M-600, 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	Jaffamine M-600	5 (%(v/v))