1Q1B

Crystal structure of E. coli MalK in the nucleotide-free form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	200
Detector technology	CCD
Collection date	2001-11-11
Wavelength(s)	0.97
Spacegroup name	P 1
Unit cell lengths	60.617, 93.540, 99.796
Unit cell angles	77.63, 79.38, 73.20

Refinement procedure

Resolution	20.000 * - 2.800
R-factor	0.249
Rwork	0.249
R-free	0.30400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	24.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.058 *	0.265 *
Number of reflections	51331 *	5142 *
Completeness [%]	97.8 *	98.4 *
Redundancy	1.8	1.9 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	293	PEG 4000, glycerol, Sodium Acetate, Tris, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	ATP	1 (mM)
3	1	drop	EDTA	1 (mM)
4	1	drop	dithiothreitol	10 (mM)
5	1	drop	glycerol	20 (%)
6	1	drop	sodium citrate	10 (mM)	pH8.
7	1	reservoir	PEG5000 MME	24 (%)
8	1	reservoir	ammonium sulfate	0.2 (M)
9	1	reservoir	MES	100 (mM)	pH6.5