4W8S

Crystal structure of truncated hemolysin A Q125S/Y134S 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	2014-07-23
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03
Spacegroup name	P 21 21 2
Unit cell lengths	56.338, 120.153, 34.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.095 - 1.511
R-factor	0.1773
Rwork	0.176
R-free	0.20090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fy3
RMSD bond length	0.007
RMSD bond angle	1.040
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.100	1.550
High resolution limit [Å]	1.510	1.510
Number of reflections	37174
<I/σ(I)>	28.7	2.5
Completeness [%]	100.0	99.4
Redundancy	14.3	12.9

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%)