2CAL

Crystal structure of His143Met rusticyanin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.5
Synchrotron site	SRS
Beamline	PX9.5
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	32.297, 60.133, 37.236
Unit cell angles	90.00, 107.44, 90.00

Refinement procedure

Resolution	35.600 - 1.100
R-factor	0.14
R-free	0.17000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a8z
RMSD bond length	0.013
RMSD bond angle	1.621
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.600	1.120
High resolution limit [Å]	1.100	1.100
Rmerge	0.080	0.200
Number of reflections	48379
<I/σ(I)>	11	2.9
Completeness [%]	89.4	72.6
Redundancy	17	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1