4IYR

Crystal structure of full-length caspase-6 zymogen

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	180
Detector technology	CCD
Collection date	2010-11-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9792
Spacegroup name	I 41 2 2
Unit cell lengths	158.062, 158.062, 126.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.545 - 2.697
R-factor	0.1825
Rwork	0.180
R-free	0.23130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nr2
RMSD bond length	0.008
RMSD bond angle	1.114
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	PHENIX (1.6.1_357)
Refinement software	PHENIX ((phenix.refine: 1.6.1_357))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.697
Number of reflections	21861
Completeness [%]	97.6
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	289	0.1M KH2PO4, 0.1M NaH2PO4, 0.1M Bis-tris, 1.75M NaCl, pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 289K