1KXN

Crystal Structure of Cytochrome c Peroxidase with a Proposed Electron Transfer Pathway Excised to Form a Ligand Binding Channel.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	1996-01-15
Detector	SIEMENS
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	106.800, 75.800, 51.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.800
Rwork	0.187
R-free	0.19400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cmq
RMSD bond length	0.009
RMSD bond angle	0.029
Data reduction software	XFIT
Data scaling software	X-GEN
Refinement software	SHELXL

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.075 *	0.550 *
Total number of observations	168657 *
Number of reflections	36741 *	3208 *
Completeness [%]	91.2	81.1
Redundancy	4.6	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	15 *	MPD, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	0.06 (mM)
2	1	drop	potassium phosphate	80-120 (mM)	pH6.0
3	1	drop	MPD	20 (%)
4	1	reservoir	MPD	25 (%)