1H7T

The structure of CMP:2-keto-3-deoxy-manno-octonic acid synthetase and of its complexes with substrates and substrate analogues, here complex with CMP-NeuAc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	297
Spacegroup name	P 1 21 1
Unit cell lengths	46.000, 133.650, 48.420
Unit cell angles	90.00, 102.44, 90.00

Refinement procedure

Resolution	22.000 - 2.480
R-factor	0.173
Rwork	0.173
R-free	0.22500
Structure solution method	OTHER
RMSD bond length	0.007
RMSD bond angle	1.300
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.100
High resolution limit [Å]	2.480	2.480 *
Rmerge	0.077 *	0.180 *
Number of reflections	17810	1422 *
Completeness [%]	88.0	73 *
Redundancy	2.4	1.9 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	9.4	20 *	pH 9.40

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	drop	PEG20000	8 (%(w/v))
3	1	drop	Tris-HCl	50 (mM)
4	1	drop	calcium acetate	100 (mM)
5	1	drop		2.5 (mM)
6	1	drop	dithiothreitol	1 (mM)
7	1	reservoir	PEG20000	2-4 (%)