6TD9

X-ray structure of mature PA1624 from Pseudomonas aeruginosa PAO1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-09-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979531
Spacegroup name	P 21 21 21
Unit cell lengths	53.304, 59.317, 158.542
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.490 - 1.960
R-factor	0.1784
Rwork	0.175
R-free	0.23930
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.237
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SHELXCD
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	2.030
High resolution limit [Å]	1.960	1.960
Rmerge	0.224	1.739
Rmeas	0.225	1.763
Rpim	0.023	0.282
Number of reflections	36764	3576
<I/σ(I)>	27.08	2.58
Completeness [%]	99.4	98.1
Redundancy	91	36.4
CC(1/2)	0.999	0.746

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.1	293	0.15 M NaAc, 0.1 M HEPES, 23.3% PEG 4000