5JFT

Zebra Fish Caspase-3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-19
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	56.910, 77.869, 135.671
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.920 - 2.280
R-factor	0.179
Rwork	0.175
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.890
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall
Low resolution limit [Å]	33.918
High resolution limit [Å]	2.282
Number of reflections	27818
<I/σ(I)>	3.1
Completeness [%]	98.8
Redundancy	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	291	Crystals were obtained at 18 deg. C by the hanging drop vapor diffusion method using 4 uL drops that contained equal volumes of protein and reservoir solutions over a 0.5 mL solution of 100 mM sodium citrate, pH 5.1, 17.5% PEG 6000, 10 mM DTT, and 3 mM NaN3. Crystals appeared within 14 days and were briefly immersed in cryogenic solution containing 10% 2-methylpentane-2,4-diol and 90% reservoir solution.