8AID

Crystal structure of N-terminally truncated PA4183 from P. aeruginosa PAO1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-05
Detector	MAR CCD 165 mm
Wavelength(s)	0.91841
Spacegroup name	P 32 2 1
Unit cell lengths	155.492, 155.492, 59.516
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.300 - 1.520
R-factor	0.1496
Rwork	0.149
R-free	0.16580
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.260	47.260	1.550
High resolution limit [Å]	1.520	8.330	1.520
Rmerge	0.045	0.032	0.619
Rmeas	0.049	0.036	0.725
Rpim	0.021	0.016	0.369
Total number of observations	682412	3717	20968
Number of reflections	126391	789	6076
<I/σ(I)>	19.1	42.5	2
Completeness [%]	99.8	94.4	98
Redundancy	5.4	4.7	3.5
CC(1/2)	0.999	0.998	0.795

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.6	293	0.7 M K/NA tartrate, 0.2 M LiSO4, 0.1 M CHES pH 9.6