4W8T

Crystal structure of truncated hemolysin A Q125S from P. mirabilis at 1.5 Angstroms resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-30
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03
Spacegroup name	P 1 2 1
Unit cell lengths	59.593, 34.156, 67.597
Unit cell angles	90.00, 99.02, 90.00

Refinement procedure

Resolution	25.493 - 1.539
R-factor	0.1685
Rwork	0.167
R-free	0.18930
RMSD bond length	0.008
RMSD bond angle	1.156
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.500	1.580
High resolution limit [Å]	1.539	1.540
Rmerge		0.928
Number of reflections	40088
<I/σ(I)>	15.8	2
Completeness [%]	99.7	99.9
Redundancy	6.7	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	100 mM citrate pH 5.5, 100 mM NaCl, PEG 4000 (8 - 16%)