5UXO

Type II DAH7PS from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	80
Detector technology	CCD
Collection date	2016-08-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	I 2 2 2
Unit cell lengths	80.240, 100.120, 115.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	75.680 - 2.350
R-factor	0.19713
Rwork	0.194
R-free	0.25600
RMSD bond length	0.015
RMSD bond angle	1.756
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.680	2.430
High resolution limit [Å]	2.350	2.350
Rmerge	0.139	0.392
Rpim	0.056	0.156
Number of reflections	19777	1924
<I/σ(I)>	9.9	4.2
Completeness [%]	100.0	100
Redundancy	7.1	7.2
CC(1/2)	0.992	0.962

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	278	0.1 M sodium acetate pH 5.5, 0.8 M sodium formate, 1 mM cobalt chloride, 1 mM phosphoenol pyruvate, 26 % PEG 2000 MME