1H7F

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	297
Spacegroup name	P 1 21 1
Unit cell lengths	46.020, 133.360, 48.400
Unit cell angles	90.00, 102.37, 90.00

Refinement procedure

Resolution	22.000 - 2.120
R-factor	0.184
Rwork	0.184
R-free	0.22600
Structure solution method	OTHER
RMSD bond length	0.007
RMSD bond angle	1.500
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.700
High resolution limit [Å]	2.120	2.120 *
Rmerge	0.066 *	0.150 *
Number of reflections	30952	2777 *
Completeness [%]	96.0	89 *
Redundancy	2.6	1.8 *

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 (%)