2OI6

E. coli GlmU- Complex with UDP-GlcNAc, CoA and GlcN-1-PO4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9A
Synchrotron site	NSLS
Beamline	X9A
Temperature [K]	125
Detector technology	CCD
Collection date	2001-02-09
Detector	MAR CCD 165 mm
Spacegroup name	H 3 2
Unit cell lengths	102.760, 102.760, 644.828
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.960 - 2.200
R-factor	0.178
Rwork	0.178
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hv9
RMSD bond length	0.019
RMSD bond angle	1.700
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.960	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.065	0.308
Number of reflections	67353
Completeness [%]	98.0	93.9
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	298	Tris, NaCl, DTT, azide, MgCl2, CoA, GlcN-1-PO4, UDP-GlcNAc, ammonium sulfate, CoCl2, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K