1I3K

MOLECULAR BASIS FOR SEVERE EPIMERASE-DEFICIENCY GALACTOSEMIA: X-RAY STRUCTURE OF THE HUMAN V94M-SUBSTITUTED UDP-GALACTOSE 4-EPIMERASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2000-01-01
Detector	SBC-2
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	78.100, 89.900, 96.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 1.500
R-factor	0.175
Rwork	0.174
R-free	0.19800
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1ek6
RMSD bond length	0.010
RMSD bond angle	2.100
Data reduction software	d*TREK
Data scaling software	HKL-2000
Phasing software	TNT
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.047	0.239
Total number of observations	108944 *
Number of reflections	10333 *
<I/σ(I)>	41	3.5
Completeness [%]	99.1	95.3
Redundancy	6.7	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	6	4 *	used macroseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	MES	100 (mM)
2	1	1	PEG3400	8-9 (%(w/v))
3	1	1		75 (mM)
4	1	1	protein	15 (mg/ml)
5	1	1	NADH	5 (mM)
6	1	1	UDP-sugars	20 (mM)