3UKQ

Crystal structure of R327K UDP-galactopyranose mutase from Aspergillus fumigatus in complex with UDPgalp

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	2011-02-03
Detector	RAYONIX MX300HE
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	129.540, 135.480, 176.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	? - 3.150
R-factor	0.2135
Rwork	0.212
R-free	0.24820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	reduced AfUGM:UDPgalp structure
RMSD bond length	0.004
RMSD bond angle	0.738
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.400	44.400	2.930
High resolution limit [Å]	2.860	12.790	2.860
Rmerge	0.198	0.020	0.020
Number of reflections	71880
<I/σ(I)>	8.2	25.67	1.15
Completeness [%]	99.5	97.4	98.8
Redundancy	6.2

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