4DSG

Crystal Structure of oxidized UDP-Galactopyranose mutase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-06
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97915
Spacegroup name	P 65 2 2
Unit cell lengths	143.393, 143.393, 354.205
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.936 - 2.249
R-factor	0.1844
Rwork	0.183
R-free	0.21250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ute
RMSD bond length	0.007
RMSD bond angle	1.122
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.6.2_432)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.000	55.000	2.330
High resolution limit [Å]	2.249	4.850	2.249
Rmerge	0.105	0.041	0.542
Number of reflections	101725
<I/σ(I)>	14.077		2.214
Completeness [%]	99.2	98.4	100
Redundancy	5.1	6.4	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	1.0 M ammonium sulfate, 0.5% PEG8000, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K