5SZ8

Truncated hemolysin A Q125A/Y134A from P. mirabilis at 1.8 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	2015-07-26
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 41 21 2
Unit cell lengths	69.231, 69.231, 234.862
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.779 - 1.830
R-factor	0.179
Rwork	0.178
R-free	0.20570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4w8q
RMSD bond length	0.017
RMSD bond angle	1.479
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.860
High resolution limit [Å]	1.830	4.970	1.830
Rmerge	0.085	0.045	0.803
Number of reflections	51639
<I/σ(I)>	9.1
Completeness [%]	99.9	97.7	100
Redundancy	22	24.4	22.1
CC(1/2)		0.999	0.964

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	1.0 M Lithium sulfate monohydrate, 2% w/v Polyethylene glycol 8,000