4WX3

pore-forming thermostable direct hemolysin from Grimontia hollisae

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9789, 0.9790, 0.9639
Spacegroup name	P 21 21 2
Unit cell lengths	105.297, 112.588, 60.803
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.848 - 1.701
R-factor	0.202
Rwork	0.201
R-free	0.23360
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	0.847
Data reduction software	SCALEPACK (2000)
Phasing software	PHENIX (1.9-1692)
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.064	0.570
Number of reflections	73925
<I/σ(I)>	4.3	4.3
Completeness [%]	92.2	79.3
Redundancy	4.9	4.1

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