5KF3

Truncated hemolysin A from P. mirabilis Y134A at 2.2 Angstroms resolution

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 2 21 21
Unit cell lengths	33.906, 59.775, 115.766
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.539 - 2.200
R-factor	0.1744
Rwork	0.173
R-free	0.20690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4w8q
RMSD bond length	0.004
RMSD bond angle	0.641
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	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.094	0.057	0.207
Number of reflections	12612
<I/σ(I)>	8.9
Completeness [%]	99.7	99.5	98.4
Redundancy	8.8	8.9	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	100 MM CITRATE PH 5.5, 100 MM NACL, PEG 4000 (8 - 16%)