3KUU

Structure of the PurE Phosphoribosylaminoimidazole Carboxylase Catalytic Subunit from Yersinia pestis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	110
Detector technology	CCD
Collection date	2009-11-13
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.127
Spacegroup name	I 4 2 2
Unit cell lengths	114.040, 114.040, 231.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.300 - 1.410
R-factor	0.151
Rwork	0.150
R-free	0.16700
Structure solution method	SAD
RMSD bond length	0.018
RMSD bond angle	1.631
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.104	0.518
Number of reflections	145751
<I/σ(I)>	14.2	3
Completeness [%]	99.1	93.5
Redundancy	11.8	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	1.6M ammonium sulphate, 4% maltose, 0.1M HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	7	298	1.6M ammonium sulphate, 4% maltose, 0.1M HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	7	298	1.6M ammonium sulphate, 4% maltose, 0.1M HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K