4LIS

Crystal Structure of UDP-galactose-4-epimerase from Aspergillus nidulans

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	2010-06-03
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9790
Spacegroup name	C 1 2 1
Unit cell lengths	66.133, 119.154, 161.424
Unit cell angles	90.00, 98.48, 90.00

Refinement procedure

Resolution	36.710 - 2.800
R-factor	0.2153
Rwork	0.213
R-free	0.26160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hzj
RMSD bond length	0.002
RMSD bond angle	0.556
Data reduction software	d*TREK (9.9.9.7L)
Data scaling software	d*TREK (9.9.8.0L)
Phasing software	MOLREP
Refinement software	PHENIX (dev_1327)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.710	36.710	2.900
High resolution limit [Å]	2.800	6.020	2.800
Rmerge	0.131	0.086	0.514
Total number of observations		22309	23380
Number of reflections	30056
<I/σ(I)>	8.1	16.3	3.2
Completeness [%]	98.4	96.7	98.5
Redundancy	7.09	6.84	7.34

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	278	20%(w/v) PEG 3350, 0.1M Bis-Tris propane, 0.2M NaF, microbatch, temperature 278K, pH 7.5, EVAPORATION