1ZID

LONG FATTY ACID CHAIN ENOYL-ACP REDUCTASE (INHA) IN COMPLEX WITH AN ISONICOTINIC-ACYL-NADH INHIBITOR

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1996-11
Detector	MACSCIENCE
Spacegroup name	P 62 2 2
Unit cell lengths	100.530, 100.530, 138.960
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.700
R-factor	0.202
Rwork	0.202
R-free	0.29700
Structure solution method	INITIAL PHASES DERIVED FROM NATIVE STRUCTURE (PDB ENTRY 1ENY)
Starting model (for MR)	NATIVE STRUCTURE (PDB ENTRY 1ENY)
RMSD bond length	0.010
RMSD bond angle	26.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	2.770
High resolution limit [Å]	2.700	2.700
Rmerge	0.164 *	0.343 *
Number of reflections	10621
<I/σ(I)>	11.3	2.4
Completeness [%]	90.7	50 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		12% MPD, 4% DMSO, 50MM NACITRATE, 100 MM HEPES, PH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	methylpentanediol	6 (%)
2	1	reservoir	dimethyl sulfoxide	2 (%)
3	1	reservoir	HEPES	50 (mM)	pH7.5
4	1	reservoir	sodium citrate	25 (mM)	pH6.5