2Y6P

Evidence for a Two-Metal-Ion-Mechanism in the Kdo- Cytidylyltransferase KdsB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2003-09-14
Detector	MARRESEARCH SX-165
Spacegroup name	C 1 2 1
Unit cell lengths	156.175, 51.175, 107.514
Unit cell angles	90.00, 102.68, 90.00

Refinement procedure

Resolution	29.350 - 2.100
R-factor	0.21369
Rwork	0.211
R-free	0.25792
Structure solution method	MIRAS
Starting model (for MR)	NONE
RMSD bond length	0.012
RMSD bond angle	1.375
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	autoSHARP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.360	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.040	0.120
Number of reflections	46213
<I/σ(I)>	16.74	6.12
Completeness [%]	94.8	88.5
Redundancy	3.75

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		THE DROPS CONTAINED EQUAL AMOUNTS OF KDSB (10 MG/ML IN 20 MM TRIS-HCL, PH 7.5, 100 MM NACL, 5 MM MGCL2, 2 MM 2-MERCAPTOETHANOL, SUPPLEMENTED WITH 1 MM CTP) AND RESERVOIR SOLUTION (0.1 M HEPES PH 7.5, 18.8% ISOPROPANOL, 18.7% PEG 4000).