2H1F

E. coli heptosyltransferase WaaC with ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2004-06-28
Detector	MARRESEARCH
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	78.860, 88.860, 89.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.400
Rwork	0.228
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Native WaaC PDB ENTRY 2GT1
RMSD bond length	0.008
RMSD bond angle	1.463
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.500	2.460
High resolution limit [Å]	2.400	2.400
Number of reflections	25122
<I/σ(I)>	18.6	3.4
Completeness [%]	99.2	98.7
Redundancy	4.6	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	291	15% PEG 1500, 100 mM Hepes (pH 7.0), 100 mM NaCl, 1 mM ADP, VAPOR DIFFUSION, temperature 291K