2GOK

Crystal structure of the imidazolonepropionase from Agrobacterium tumefaciens at 1.87 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-02-09
Detector	MAR CCD 165 mm
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	140.754, 63.630, 103.716
Unit cell angles	90.00, 111.93, 90.00

Refinement procedure

Resolution	23.640 - 1.870
R-factor	0.207
Rwork	0.207
R-free	0.23100
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.200
Data scaling software	HKL-2000
Phasing software	SHELXD
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.000
High resolution limit [Å]	1.870	1.870
Number of reflections	69172
<I/σ(I)>	6.85	1.2
Completeness [%]	97.6	91.7
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.2M MgCl2, 0.1M Bis-Tris, 25% PEG 3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.2M MgCl2, 0.1M Bis-Tris, 25% PEG 3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K