6G49

Crystal structure of the periplasmic domain of TgpA from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-01
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.96770
Spacegroup name	P 43 21 2
Unit cell lengths	71.640, 71.640, 164.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.500 - 1.600
R-factor	0.1621
Rwork	0.160
R-free	0.19391
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.814
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.500	1.630
High resolution limit [Å]	1.600	1.600
Rmeas	0.064	1.468
Rpim	0.032	0.682
Number of reflections	57370	4156
<I/σ(I)>	17.6	1.66
Completeness [%]	99.9
Redundancy	7.5
CC(1/2)	0.999	0.739

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7.5	293	0.1 M HEPES sodium pH 7.5 0.8 M Sodium phosphate monobasic monohydrate 0.8 M Potassium phosphate monobasic