5KEH

Truncated hemolysin A from P. mirabilis at 2.0 Angstroms resolution crystallized in a high salt condition

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-20
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 1 2 1
Unit cell lengths	51.598, 33.640, 59.587
Unit cell angles	90.00, 100.67, 90.00

Refinement procedure

Resolution	35.237 - 1.551
R-factor	0.1494
Rwork	0.147
R-free	0.17950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4w8q
RMSD bond length	0.016
RMSD bond angle	1.369
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.580
High resolution limit [Å]	1.550	4.210	1.550
Rmerge	0.074	0.051	0.252
Number of reflections	29433
<I/σ(I)>	16.1
Completeness [%]	99.8	97	100
Redundancy	7.4	6.7	7.1

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%)