4ZR8

Structure of uroporphyrinogen decarboxylase from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-16
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	65.540, 83.380, 68.460
Unit cell angles	90.00, 106.97, 90.00

Refinement procedure

Resolution	28.805 - 1.500
R-factor	0.1306
Rwork	0.129
R-free	0.16090
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.037
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.038	0.019	0.448
Rmeas	0.044	0.022	0.524
Total number of observations	424436
Number of reflections	112341	1279	8301
<I/σ(I)>	20.9	58.66	2.89
Completeness [%]	99.8	97.3	99.8
Redundancy	3.8		3.73

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.65	290	native: Microlytics MGSC1 screen, B11: 18% PEG8000, 200 mM magnesium chloride, 100 mM Tris-HCl, pH 7.65, 11 mg/mL AcbaC.001152.a.B1.PW3767 + 2 mM NAD, cryoprotectant: 20% ethylene glycol, tray 262775, puck kzo2-10
2	VAPOR DIFFUSION, SITTING DROP	6.5	290	iodide: Microlytics MGSC1 screen, A12: 20% PEG4000, 200 mM calcium chloride, 100 mM Tris-HCl, pH 8.5, 11 mg/mL AcbaC.001152.a.B1.PW3767 + 2 mM NAD, cryoprotectant: 10% ethylene glycol + 250 mM sodium iodide, then 20% ethylene glycol + 500 mM sodium iodide, tray 262775, puck hml1-17