1MKR

Crystal Structure of a Mutant Variant of Cytochrome c Peroxidase (Plate like crystals)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	124
Detector technology	IMAGE PLATE
Collection date	2002-03-21
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	50.480, 50.957, 118.884
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.580
Rwork	0.194
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	H52Y6 Dataset - PDB Entry - 1MKQ
RMSD bond length	0.005
RMSD bond angle	2.245
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	1.610
High resolution limit [Å]	1.580	1.580
Rmerge	0.049	0.394
Total number of observations	627338 *
Number of reflections	42967
<I/σ(I)>	37.19	2.72
Completeness [%]	94.8	87.9
Redundancy	14.602	4.24

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6	4 *	2-Methyl-2,4-Pentanediol (MPD), Tris-phosphate buffer, 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 (%)