1JDR

Crystal Structure of a Proximal Domain Potassium Binding Variant of Cytochrome c Peroxidase

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	1997-12-12
Detector	MARRESEARCH
Wavelength(s)	1.08
Spacegroup name	P 21 21 21
Unit cell lengths	106.717, 75.531, 51.256
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.500
R-factor	0.197 *
Rwork	0.197
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2.4 angstrom room temperature structure of the CCP K+ binding mutant. Originally used was the wild type structure from Finzel et al. 1984.
RMSD bond length	0.007 *
RMSD bond angle	1.304 *
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.520
High resolution limit [Å]	1.500	1.500
Rmerge	0.056	0.511
Total number of observations	245706 *
Number of reflections	64691
<I/σ(I)>	8.8	2.07
Completeness [%]	96.0	88.4
Redundancy	7.6	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	Edwards, S.L., (1990) J. Biol. Chem., 265, 2588. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	potassium phosphate	0.05 (M)
3	1	drop	MPD	20 (%)
4	1	reservoir	MPD	35 (%)