4DSH

Crystal structure of reduced UDP-Galactopyranose mutase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97949
Spacegroup name	P 65 2 2
Unit cell lengths	143.840, 143.840, 354.389
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.901 - 2.250
R-factor	0.1816
Rwork	0.180
R-free	0.20980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ute
RMSD bond length	0.007
RMSD bond angle	1.106
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.6.2_432)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.080	47.080	2.370
High resolution limit [Å]	2.250	7.120	2.250
Rmerge	0.089		0.526
Total number of observations		29200	107552
Number of reflections	102978
<I/σ(I)>	17.6		3.7
Completeness [%]		99.21	99.76
Redundancy	8.2		7.3

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