2P0R

Structure of Human Calpain 9 in complex with Leupeptin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-01-10
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	97.165, 97.165, 173.378
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.430 - 2.500
R-factor	0.21321
Rwork	0.210
R-free	0.26889
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nqa
RMSD bond length	0.012
RMSD bond angle	1.385
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	33145
<I/σ(I)>	8.5	2.6
Completeness [%]	100.0	99.6
Redundancy	9.1	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	14.7% Peg 8000, 10% glycerol, 0.1M Na-Cacodylate, 0.15M Ammonium sulfate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K