3UKA

CRYSTAL STRUCTURE OF UDP-galactopyranose mutase from Aspergillus fumigatus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-09-07
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97969
Spacegroup name	P 1
Unit cell lengths	69.830, 73.560, 116.010
Unit cell angles	102.02, 101.07, 91.11

Refinement procedure

Resolution	19.720 - 2.640
R-factor	0.2093
Rwork	0.206
R-free	0.26740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	structure of reduced AfUGM:UDP-galp complex
RMSD bond length	0.002
RMSD bond angle	0.569
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.900	19.900	2.650
High resolution limit [Å]	2.420	11.550	2.420
Rmerge	0.153	0.024	0.642
<I/σ(I)>	5.24	28.81	1.21
Completeness [%]	94.5	76.3	85.1
Redundancy	2	1.967	1.947

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.5	277	0.1M Bis-Tris pH 5.5, 0.2M MgCl2, 13% PEG 3350, 4% acetonitrile, microbatch, temperature 277K