1NX0

Structure of Calpain Domain 6 in Complex with Calpastatin DIC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	103
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	53.780, 83.300, 92.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 - 2.300
R-factor	0.218
Rwork	0.218
R-free	0.21300 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010 *
RMSD bond angle	1.327 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall
Low resolution limit [Å]	100.000
High resolution limit [Å]	2.300
Rmerge	0.060
Number of reflections	18854
<I/σ(I)>	17.5
Completeness [%]	98.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5		PEG 6000, BME, EDTA, CaCl2, NaCl, pH 5.5, VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	CAC	50 (mM)
2	1	reservoir	PEG6000	20 (%)
3	1	reservoir	beta-mercaptoethanol	5 (mM)
4	1	reservoir	EDTA	2 (mM)
5	1	reservoir		2 (mM)
6	1	reservoir		200 (mM)
7	1	drop	protein	5 (mg/ml)