1BVA

MANGANESE BINDING MUTANT IN CYTOCHROME C PEROXIDASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	1998-01-15
Detector	SIEMENS
Spacegroup name	P 21 21 21
Unit cell lengths	105.800, 73.600, 50.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.890
R-factor	0.179
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ccg
RMSD bond length	0.006
RMSD bond angle	1.700
Data reduction software	X-GEN
Data scaling software	X-GEN
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.010
High resolution limit [Å]	1.880	1.890
Rmerge	0.052	0.140
Number of reflections	26232
<I/σ(I)>	18.8	2.39
Completeness [%]	81.0	42
Redundancy	2.3	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	6		20% MPD, 35 MM PHOSPHATE, PH 6.0, 5 MM MNSO4.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	0.17 (mM)
2	1	drop	potassium phosphate	15 (mM)
3	1	drop		5 (mM)
4	1	drop	MPD	10 (%)
5	1	reservoir	MPD	25 (%)