5UOU

High resolution structure of 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline decarboxylase from Klebsiella pneumoniae subsp. pneumoniae MGH 78578

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97948
Spacegroup name	P 41
Unit cell lengths	61.524, 61.524, 39.443
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.514 - 1.500
R-factor	0.1645
Rwork	0.163
R-free	0.19650
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.407
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	PHENIX (dev_2650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.050	0.039	0.497
Rmeas	0.054	0.042	0.550
Rpim	0.019	0.016	0.231
Total number of observations	180107
Number of reflections	23411
<I/σ(I)>	11.7
Completeness [%]	98.2	93.4	86.1
Redundancy	7.7	7.3	5.1
CC(1/2)		0.994	0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	0.2 M Ammonium Acetate, 0.1 M HEPES, 25% PEG3350