4MO2

Crystal Structure of UDP-N-acetylgalactopyranose mutase from Campylobacter jejuni

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	2010-12-13
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9790
Spacegroup name	P 21 21 21
Unit cell lengths	48.420, 116.150, 165.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.510 - 2.000
R-factor	0.1733
Rwork	0.171
R-free	0.21190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.670
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.510		2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.140	0.034	0.830
Number of reflections	63966	828	4619
<I/σ(I)>	12.55	41.98	2.51
Completeness [%]	100.0	99.3	100
Redundancy	7.11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.6	277	0.2M Ammonium acetate, 0.1M tri-Sodium citrate pH 5.6, 25%(w/v) PEG 4000, microbatch, temperature 277K