4WX5

pore-forming thermostable direct hemolysin from Grimontia hollisae

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.96379, 0.97904, 0.97920
Spacegroup name	P 21 21 2
Unit cell lengths	105.343, 112.688, 60.902
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.768 - 2.302
R-factor	0.1964
Rwork	0.193
R-free	0.24070
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.008
Data reduction software	SCALEPACK (2000)
Phasing software	PHENIX (1.9-1692)
Refinement software	PHENIX ((phenix.refine: 1.8.3_1479))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.083	0.264
Number of reflections	32500
<I/σ(I)>	21.8	6.7
Completeness [%]	99.6	97.9
Redundancy	8.1	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	28%(v/v) PEG 400, 0.2 M CaCl2, 0.1 M Na-HEPES buffer