1QXP

Crystal Structure of a mu-like calpain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-05-20
Detector	ADSC QUANTUM 4
Wavelength(s)	0.916117
Spacegroup name	P 1 21 1
Unit cell lengths	72.738, 184.596, 86.370
Unit cell angles	90.00, 100.74, 90.00

Refinement procedure

Resolution	50.000 * - 2.800
R-factor	0.23294
Rwork	0.229
R-free	0.31000 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009 *
RMSD bond angle	1.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.800 *	2.700
Rmerge	0.057 *	0.279 *
Total number of observations	110989 *
Number of reflections	50920 *
Completeness [%]	91.1	82.3 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.6 *	295	PEG 6000,morpholino ethane sulfonic acid, sodium chloride, n-nonyl-beta-D-maltoside , pH 6.25, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10-15 (mg/ml)
2	1	drop	Tris-HCl	50 (mM)	pH7.6
3	1	drop		100 (mM)
4	1	drop	EDTA	0.2 (mM)
5	1	drop	dithiothreitol	10 (mM)
6	1	reservoir	PEG6000	8 (%)
7	1	reservoir	MES	100 (mM)	pH6.25
8	1	reservoir		50 (mM)
9	1	reservoir	n-nonyl-beta-D-maltoside	6.0 (mM)