1MKQ

Crystal Structure of the Mutant Variant of Cytochrome c Peroxidase in the 'Open' Uncross-linked form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	116.1
Detector technology	IMAGE PLATE
Collection date	2002-01-26
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	106.598, 74.943, 50.987
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.640
Rwork	0.184
R-free	0.20840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	H52Y model - PDB Entry 1MK8
RMSD bond length	0.005
RMSD bond angle	2.174
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.670
High resolution limit [Å]	1.640	1.640
Rmerge	0.053	0.353
Total number of observations	673145 *
Number of reflections	50987
<I/σ(I)>	38.51	3.165
Completeness [%]	97.2	77.9
Redundancy	13.202	3.816

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6	4 *	2-Methyl-2,4-Pentanediol (MPD), Tris-phosphate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	16 (mg/ml)
2	1	drop	KPB	50 (mM)	or Tris-phosphate, pH6.0
3	1	drop	MPD	18 (%)
4	1	reservoir	MPD	30 (%)