1DS4

CYTOCHROME C PEROXIDASE H175G MUTANT, IMIDAZOLE COMPLEX, PH 6, 100K

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	1999-06-29
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	106.900, 74.950, 50.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	9.030 - 2.020
R-factor	0.182
RMSD bond length	0.006
RMSD bond angle	1.800
Data reduction software	XFIT
Data scaling software	CCP4 ((SCALA))
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	9.030	2.070
High resolution limit [Å]	2.020	2.020
Rmerge	0.032	0.064
Number of reflections	26130
<I/σ(I)>	16.2
Completeness [%]	95.7	70.2
Redundancy	2.3	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6	18 *	MPD, MES, PH 6, IMIDAZOLE, VAPOR DIFFUSION, SITTING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	MPD	8.5 (%)
2	1	drop	MES	200 (mM)
3	1	drop	imidazole	8.5 (mM)
4	1	reservoir	MPD	25 (%)