5ZHN

Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 32 2 1
Unit cell lengths	84.670, 84.670, 148.560
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.040 - 2.650
R-factor	0.208
Rwork	0.205
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wyq
RMSD bond length	0.010
RMSD bond angle	1.080
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.330	2.780
High resolution limit [Å]	2.650	2.650
Rmerge	0.057	1.313
Number of reflections	18516	2392
<I/σ(I)>	22	2.5
Completeness [%]	100.0	100
Redundancy	10.9	11.3
CC(1/2)	0.999	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M Tris-HCl, pH 8.6-8.8, 20%(v/v) MPD, 20%(w/v) PEG 1000, and 5%(w/v) PEG200; the crystal was soaked with 1mM inhibitor.