8US4

C2221 Crystal structure of TamA (Barrel only) from Pseudomonas aeruginosa at 3.15 Ang

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	77
Detector technology	CCD
Collection date	2013-10-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97910 Ang
Spacegroup name	C 2 2 21
Unit cell lengths	97.975, 149.876, 53.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.987 - 3.150
Rwork	0.300
R-free	0.35000
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS (3.3.20)
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.988	48.980	3.390
High resolution limit [Å]	3.150	5.390	3.150
Rmerge		0.065	0.580
Rmeas	0.244
Rpim	0.121	0.050	0.383
Number of reflections	12152	6121	5704
<I/σ(I)>	7.5	4.5	1.2
Completeness [%]	97.8	93.4	97.9
Redundancy	3.9	3.5	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	12% peg 4K, 50 mM MgCl2, 70 mM Hepes pH 7.2, 4% isopropanol, 10% glycerol