3IAC

2.2 Angstrom Crystal Structure of Glucuronate Isomerase from Salmonella typhimurium.

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	2009-06-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 42 21 2
Unit cell lengths	225.535, 225.535, 82.745
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.760 - 2.220
R-factor	0.14565
Rwork	0.144
R-free	0.18094
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.399
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CRANK
Refinement software	REFMAC (5.5.0088)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.260
High resolution limit [Å]	2.220	2.220
Rmerge	0.144	0.660
Number of reflections	104505
<I/σ(I)>	14.4	2.3
Completeness [%]	99.9	100
Redundancy	6.2	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	Protein solution: 0.3M NaCl, 10mM HEPES (pH 7.5); Screen solution: 0.2M Ammonium Acetate, 0.1M Bis-Tris (pH 6.5), 30% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 295K