4OV8

Crystal Structure of the TMH1-lock mutant of the mature form of pleurotolysin B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.980
Spacegroup name	P 31 2 1
Unit cell lengths	71.181, 71.181, 174.675
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	61.644 - 2.150
R-factor	0.2091
Rwork	0.207
R-free	0.24260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oej
RMSD bond length	0.004
RMSD bond angle	0.821
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	174.680	2.270
High resolution limit [Å]	2.150	2.150
Rmerge	0.091
Number of reflections	28792
Completeness [%]	100.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	25% PEG 8000, 0.1M sodium cacodylate, 0.2M ammonium sullfate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K