1GQ9

THE STRUCTURE OF CMP:2-KETO-3-DEOXY-MANNO-OCTONIC ACID SYNTHETASE COMPLEXED WITH CTP at 100K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Spacegroup name	P 1 21 1
Unit cell lengths	45.671, 132.349, 47.908
Unit cell angles	90.00, 102.37, 90.00

Refinement procedure

Resolution	29.000 - 2.600
R-factor	0.233
Rwork	0.233
R-free	0.28900
Structure solution method	OTHER
RMSD bond length	0.007
RMSD bond angle	1.300
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.000
High resolution limit [Å]	2.600	2.600 *
Rmerge	0.068	0.130 *
Number of reflections	14812	1826 *
<I/σ(I)>	9.9
Completeness [%]	87.0	74 *
Redundancy	1.8	1.6 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	9.4	20 *	Jelakovic, S., (2001) J.Mol.Biol., 312, 143. *

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 (%)