5KDK

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	2015-03-05
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.978
Spacegroup name	P 2 21 21
Unit cell lengths	34.440, 80.150, 96.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.685 - 2.002
R-factor	0.1608
Rwork	0.159
R-free	0.18870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4w8q
RMSD bond length	0.007
RMSD bond angle	0.889
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.21)
Phasing software	MOLREP
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	61.690	61.690	2.050
High resolution limit [Å]	2.000	8.950	2.000
Rmerge	0.141	0.052	0.411
Rmeas	0.151
Rpim	0.053
Total number of observations	149045
Number of reflections	18777
<I/σ(I)>	12.5
Completeness [%]	100.0	99.9	100
Redundancy	7.9	6.2	7.7
CC(1/2)	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	298	1M LiSO4, 2% w/v PEG 8000