1J5S

Crystal structure of uronate isomerase (TM0064) from Thermotoga maritima at 2.85 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-05-19
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9184, 0.9794, 0.9792
Spacegroup name	P 1
Unit cell lengths	77.413, 79.962, 89.430
Unit cell angles	115.73, 97.57, 110.44

Refinement procedure

Resolution	24.990 - 2.850
Rwork	0.234
R-free	0.27400
Structure solution method	MAD
RMSD bond length	0.020
RMSD bond angle	1.670 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.700	2.950
High resolution limit [Å]	2.850	2.850
Number of reflections	38502
<I/σ(I)>	5.2	2.2
Completeness [%]	96.4	96.1
Redundancy	4.1	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7 *	20 *	50% (v/v) PEG-200, 0.1M Tris pH 7.0, pH 6.8, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 293K, pH 6.80

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG200	50 (%(v/v))
2	1	reservoir	Tris	0.1 (M)	pH7.0