3R6G

Crystal structure of active caspase-2 bound with Ac-VDVAD-CHO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.11
Spacegroup name	P 21 21 21
Unit cell lengths	63.322, 97.692, 96.856
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.070
R-factor	0.16917
Rwork	0.167
R-free	0.20985
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.512
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.070
Number of reflections	37412
Completeness [%]	100.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.1M HEPES, 15% PEG 3350, 3mM DTT, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K