3UKL

Crystal structure of UDP-galactopyranose mutase from Aspergillus fumigatus in complex with UDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-16
Detector	RAYONIX MX300HE
Wavelength(s)	0.97934
Spacegroup name	P 1
Unit cell lengths	71.440, 129.200, 172.820
Unit cell angles	90.07, 84.22, 82.24

Refinement procedure

Resolution	48.000 - 2.630
R-factor	0.187
Rwork	0.185
R-free	0.23140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	reduced AfUGM:UDPgalp complex structure
RMSD bond length	0.004
RMSD bond angle	0.776
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]	48.000	48.000	2.700
High resolution limit [Å]	2.630	11.760	2.630
Rmerge	0.068	0.014	0.535
Number of reflections	165288
<I/σ(I)>	11.18	46.93	1.55
Completeness [%]	91.3	95.9	79.9
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	8.5	295	0.1M Bis-Tris-Propane pH 7.5-8.5, 0.1-0.2M sodium citrate, 15-20% PEG 3350, microbatch, temperature 295K