3UKF

CRYSTAL STRUCTURE OF UDP-galactopyranose mutase from Aspergillus fumigatus in complex with UDPgalp (reduced)

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	2008-12-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9809
Spacegroup name	P 1
Unit cell lengths	72.083, 129.338, 175.077
Unit cell angles	89.97, 103.61, 90.14

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.2521
Rwork	0.250
R-free	0.29350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	non-reduced AfUGM:UDP-galp complex
RMSD bond length	0.003
RMSD bond angle	0.640
Data reduction software	d*TREK (9.9.8.0L)
Data scaling software	d*TREK
Phasing software	MOLREP
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.490
High resolution limit [Å]	2.400	5.140	2.400
Rmerge	0.114	0.079	0.646
Number of reflections	233082
<I/σ(I)>	5.6	13.8	1.6
Completeness [%]	97.2	95.3	92.2
Redundancy	3.56	3.35	3.52

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	8.5	295	0.1M Bis-Tris-Propane pH 8.5, 0.2-0.25M sodium citrate, 15-20% PEG 3350, microbatch, temperature 295K