5UXM

Type II DAH7PS from Pseudomonas aeruginosa with Trp bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	80
Detector technology	CCD
Collection date	2016-02-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	I 2 2 2
Unit cell lengths	81.680, 100.370, 115.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	75.790 - 1.540
R-factor	0.1861
Rwork	0.185
R-free	0.21039
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2b7o
RMSD bond length	0.010
RMSD bond angle	1.432
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.790	1.570
High resolution limit [Å]	1.540	1.540
Rmerge	0.106	1.122
Rpim	0.044	0.452
Number of reflections	70122	3437
<I/σ(I)>	9.3	1.5
Completeness [%]	99.6	99.8
Redundancy	7	7.2
CC(1/2)	0.995	0.702

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