7ULA

Structure of the Pseudomonas putida AlgKX modification and secretion complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-07-25
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.512
Spacegroup name	I 4 2 2
Unit cell lengths	169.950, 169.950, 143.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.000 - 2.460
R-factor	0.2173
Rwork	0.215
R-free	0.25350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3e4b 4knc
RMSD bond length	0.005
RMSD bond angle	0.859
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.000	2.548
High resolution limit [Å]	2.460	2.460
Rmerge	0.063	1.158
Number of reflections	38142	3741
<I/σ(I)>	33.2
Completeness [%]	99.9	99.3
Redundancy	13.9	9
CC(1/2)	1.000	0.666

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298.15	0.1 M Tris-HCl pH = 8.5, 0.01 M Nickel (II) chloride, 20% (w/v) PEG2000 MME