1WAD

CYTOCHROME C3 WITH 4 HEME GROUPS AND ONE CALCIUM ION

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1994-10
Detector	MAR scanner 180 mm plate
Spacegroup name	P 21 21 21
Unit cell lengths	41.800, 50.100, 51.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.000 - 1.800
R-factor	0.149
R-free	0.21900
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXL-93
Refinement software	SHELXL-93

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.000
High resolution limit [Å]	1.800	1.800 *
Rmerge	0.059	0.188 *
Total number of observations	44409 *
Number of reflections	10315
Completeness [%]	98.3	96 *
Redundancy	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	6.5	10 *	pH 6.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	Tris-maleate	0.018 (M)
2	1	1	sodium azide	0.0037 (M)
3	1	1	PEG8000	24.35 (%)
4	1	1	protein	2.2-3.3 (mg/ml)
5	1	2	PEG8000	60 (%)