1CXY

STRUCTURE AND CHARACTERIZATION OF ECTOTHIORHODOSPIRA VACUOLATA CYTOCHROME B558, A PROKARYOTIC HOMOLOGUE OF CYTOCHROME B5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE BEAMLINE DW32
Synchrotron site	LURE
Beamline	DW32
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-05-15
Detector	MARRESEARCH
Spacegroup name	P 32 2 1
Unit cell lengths	46.406, 46.406, 91.660
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	12.000 - 1.650
R-factor	0.186
Rwork	0.199
R-free	0.22000
RMSD bond length	0.009 *
RMSD bond angle	1.250 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.660
High resolution limit [Å]	1.650	1.600
Rmerge	0.059 *	0.318
Total number of observations	92730 *
Number of reflections	14370
<I/σ(I)>	19.9
Completeness [%]	99.6	99.7
Redundancy	6.45	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4 *	298	MES, NACL, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris/Cl	10 (mM)
3	1	reservoir		4 (M)
4	1	reservoir	MES	0.1 (M)