4WSH

Crystal structure of Probable Uroporphyrinogen decarboxylase (UPD) (URO-D) from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-17
Detector	RAYONIX MX-225
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	71.760, 73.880, 141.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.489 - 1.950
R-factor	0.1605
Rwork	0.158
R-free	0.20130
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.025
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.045	0.019	0.557
Rmeas	0.051	0.022	0.627
Total number of observations	263809
Number of reflections	55710	679	4070
<I/σ(I)>	20.32	56.78	2.65
Completeness [%]	99.6	92	99.9
Redundancy	4.7		4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	Microlytics , MCSG1 F10: 2M Ammonium sulphate, 100mM Tris/HCl pH 8.5; PsaeA.01152.a.B1.PS2161 at 32mg/ml; cryo: 25% in two steps; tray 257913f10, puck dxo7-1