1DF0

Crystal structure of M-Calpain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F2
Synchrotron site	CHESS
Beamline	F2
Temperature [K]	100
Detector technology	CCD
Collection date	1998-08-25
Detector	ADSC QUANTUM 4
Spacegroup name	P 1
Unit cell lengths	57.696, 80.181, 80.720
Unit cell angles	60.37, 70.85, 79.49

Refinement procedure

Resolution	25.000 - 2.600
R-factor	0.223
Rwork	0.223
R-free	0.29300
RMSD bond length	0.009 *
RMSD bond angle	1.452 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.041	0.110
Number of reflections	227921
<I/σ(I)>	17.1
Completeness [%]	97.7	98.1
Redundancy	3.1	2.91

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5 *	298	Hosfield, C.M., (1999) Acta Crystallogr., Sect.D, 55, 1484. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	MES	100 (mM)	pH6.5
2	1	drop	PEG6000	10-12 (%)
3	1	drop		50 (mM)
4	1	drop	protein	10 (mg/ml)