2P5U

Crystal structure of Thermus thermophilus HB8 UDP-glucose 4-epimerase complex with NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-10-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97243
Spacegroup name	P 61 2 2
Unit cell lengths	250.922, 250.922, 121.036
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.850 - 2.370
Rwork	0.235
R-free	0.26100
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.463
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SGXPRO
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.450
High resolution limit [Å]	2.370	5.100	2.370
Rmerge		0.067	0.217
Number of reflections	90097
<I/σ(I)>	19.1
Completeness [%]	99.9	99.9	99.2
Redundancy	18.5	17.7	17

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	USING 1 MICROLITER DROPS CONTAINING EQUAL VOLUMES OF PROTEIN CONCENTRATE (11.71 mg/ml) AND RESERVOIR SOLUTION CONTAINING 0.09M Tris-HCl pH 8.5, 0.63M tri-Sodium citrate , VAPOR DIFFUSION, SITTING DROP, temperature 293K