1Q7B

The structure of betaketoacyl-[ACP] reductase from E. coli in complex with NADP+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-01-01
Detector	MACSCIENCE
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	72.748, 76.182, 99.733
Unit cell angles	90.00, 109.47, 90.00

Refinement procedure

Resolution	20.000 - 2.050
R-factor	0.2013
Rwork	0.200
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007 *
RMSD bond angle	1.180 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.090
High resolution limit [Å]	2.050	2.050
Rmerge	0.044 *	0.356 *
Total number of observations	306191 *
Number of reflections	64081	2888 *
Completeness [%]	95.3	90.9
Redundancy	2.8 *	2.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6 *		VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	20 (mM)	pH7.6
2	1	drop		50 (mM)
3	1	drop	dithiothreitol	1 (mM)
4	1	drop	EDTA	1 (mM)
5	1	drop	protein	5 (mg/ml)
6	1	reservoir	PEG1000	20 (%)
7	1	reservoir	calcium acetate	0.2 (M)
8	1	reservoir	Tris-HCl	0.1 (M)	pH9.0