5UXN

Type II DAH7PS from Pseudomonas aeruginosa with Tyr bound

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	81.270, 100.540, 115.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.630 - 2.200
R-factor	0.18414
Rwork	0.182
R-free	0.22671
RMSD bond length	0.023
RMSD bond angle	1.593
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]	57.630	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.139	0.326
Rpim	0.056	0.130
Number of reflections	24329	2093
<I/σ(I)>	10.5	6.4
Completeness [%]	100.0	100
Redundancy	7.1	7.3
CC(1/2)	0.992	0.936

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, 3 mM Tyr, 26 % PEG 2000 MME