4W8R

Crystal structure of hemolysin A Y134F 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 21 21 2
Unit cell lengths	56.351, 119.826, 34.286
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.956 - 1.519
R-factor	0.1767
Rwork	0.175
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fy3
RMSD bond length	0.005
RMSD bond angle	0.976
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.560
High resolution limit [Å]	1.519	1.520
Rmerge	0.151	0.942
Number of reflections	36324
<I/σ(I)>	18.3	2.5
Completeness [%]	98.8	85.3
Redundancy	14	10.3

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%)