6PZL

P. mirabilis hemolysin A mutant - Q125A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-20
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.98
Spacegroup name	P 2 21 21
Unit cell lengths	34.047, 60.224, 116.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.677 - 1.170
R-factor	0.1611
Rwork	0.161
R-free	0.18370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4w8q
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.15_3459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.700	1.200
High resolution limit [Å]	1.170	1.170
Rmerge	0.043	0.241
Rpim	0.012	0.210
Number of reflections	71123	2859
<I/σ(I)>	44.2	2.2
Completeness [%]	87.2
Redundancy	11.4	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	PEG 4000