1DT1

THERMUS THERMOPHILUS CYTOCHROME C552 SYNTHESIZED BY ESCHERICHIA COLI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-11-14
Detector	MARRESEARCH
Spacegroup name	P 65
Unit cell lengths	86.900, 86.900, 31.850
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 1.800
R-factor	0.21
Rwork	0.182
R-free	0.26200
RMSD bond length	0.007 *
RMSD bond angle	0.905 *
Data reduction software	XFIT
Data scaling software	CCP4 ((SCALA))
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.070	0.304
Total number of observations	92080 *
Number of reflections	15100
<I/σ(I)>	9.1
Completeness [%]	99.2	98.8
Redundancy	3.6	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8 *	297	36% MPEG 5K (w/v), 0.2M Im-mat 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 24K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12 (mg/ml)
2	1	drop	Tris-HCl	25 (mM)
3	1	drop		100 (mM)
4	1	reservoir	mPEG5000	36 (%(w/w))
5	1	reservoir	imidazole-malate	0.2 (M)