1KFX

Crystal Structure of Human m-Calpain Form I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Wavelength(s)	1.100
Spacegroup name	P 1 21 1
Unit cell lengths	64.780, 133.250, 77.530
Unit cell angles	90.00, 102.07, 90.00

Refinement procedure

Resolution	30.000 - 3.150
Rwork	0.243
R-free	0.31800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kfu
RMSD bond length	0.011
RMSD bond angle	1.620
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Phasing software	MAIN
Refinement software	CNS

Data quality characteristics

	Overall
High resolution limit [Å]	3.000
Rmerge	0.056
Number of reflections	25010
Completeness [%]	96.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	PEG 10000, isopropanol, guanidinium chloride, pH 7.5, VAPOR DIFFUSION, SITTING DROP at 291K, VAPOR DIFFUSION, SITTING DROP