1BVB

HEME-PACKING MOTIFS REVEALED BY THE CRYSTAL STRUCTURE OF CYTOCHROME C554 FROM NITROSOMONAS EUROPAEA

Experimental procedure

Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-07
Detector	MARRESEARCH
Spacegroup name	P 43 2 2
Unit cell lengths	68.200, 68.200, 168.833
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.600
R-factor	0.208
Rwork	0.208
R-free	0.25400
Structure solution method	MIRAS
RMSD bond length	0.015
RMSD bond angle	1.900
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.097 *	0.291 *
Total number of observations	51408 *
Number of reflections	11956
<I/σ(I)>	10.293	3.4
Completeness [%]	92.7	92.1
Redundancy	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	10.1	22 *	pH 10.1

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	40 (mg/ml)
2	1	reservoir	potassium phosphate	62.5 (%(w/v))
3	1	reservoir	potassium phosphate	92.5 (%(w/v))