6JOE

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-12
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.00001
Spacegroup name	P 32 2 1
Unit cell lengths	85.505, 85.505, 147.539
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.750 - 2.210
R-factor	0.211
Rwork	0.209
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wyq
RMSD bond length	0.010
RMSD bond angle	1.010
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]	42.750	2.270
High resolution limit [Å]	2.210	2.210
Rmerge	0.051	0.843
Rmeas	0.057	0.968
Number of reflections	32130	2724
<I/σ(I)>	21.1	3
Completeness [%]	99.8	98.8
Redundancy	8.3	4
CC(1/2)	0.999	0.874

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.