1JAF

CRYSTAL STRUCTURE OF CYTOCHROME C' FROM RHODOCYCLUS GELATINOSUS AT 2.5 ANGSTOMS RESOLUTION

Experimental procedure

Source details	BRUKER NONIUS
Temperature [K]	298
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 31 2 1
Unit cell lengths	70.180, 70.180, 126.850
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.400 - 2.500
R-factor	0.179
Rwork	0.179
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	CYTOCHROME C' FROM ALCALIGENES SP (PDB ENTRY 1CGO)
RMSD bond length	0.009
RMSD bond angle	19.334 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.400	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.112 *	0.428
Total number of observations	96234 *
Number of reflections	13010
<I/σ(I)>	13.7	2.4
Completeness [%]	99.3	98.7
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	6	277 *	55% SATURATED (NH4)2SO4, 50 MM (NH4)2HPO4, 1 M NACL, pH 6.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	ammonium sulfate	55 (%sat)
2	1	1	ammonium phosphate	50 (mM)
3	1	1		1 (M)
4	1	2	protein	10-20 (mg/ml)
5	1	2	ammonium phosphate	50 (mM)