3UKP

Crystal structure of R327A 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	2011-06-10
Detector	RAYONIX MX300HE
Wavelength(s)	0.9798
Spacegroup name	P 1 21 1
Unit cell lengths	129.600, 175.710, 135.347
Unit cell angles	90.00, 90.01, 90.00

Refinement procedure

Resolution	34.770 - 3.100
R-factor	0.206
Rwork	0.202
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	reduced AfUGM:UDPgalp complex
RMSD bond length	0.005
RMSD bond angle	1.148
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]	34.770	34.770	3.210
High resolution limit [Å]	3.100	6.660	3.100
Rmerge	0.238	0.114	0.630
Number of reflections	105656
<I/σ(I)>	3.5	7	1.7
Completeness [%]	96.3	91.8	98.1
Redundancy	3.38	3.36	3.43

Crystallization Conditions

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