1BVR

M.TB. ENOYL-ACP REDUCTASE (INHA) IN COMPLEX WITH NAD+ AND C16-FATTY-ACYL-SUBSTRATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	287
Detector technology	IMAGE PLATE
Collection date	1997-11-15
Detector	MACSCIENCE
Spacegroup name	C 1 2 1
Unit cell lengths	101.080, 83.450, 192.810
Unit cell angles	90.00, 95.24, 90.00

Refinement procedure

Resolution	10.000 - 2.800
R-factor	0.217
Rwork	0.217
R-free	0.34400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eny
RMSD bond length	0.014
RMSD bond angle	2.000
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.162 *	0.255 *
Number of reflections	35800 *	3029 *
<I/σ(I)>	7.6	3.5
Completeness [%]	93.0	79.3 *
Redundancy	2.5	1.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.8		10% PEG-4000, 6% DMSO, 100 MM AMMONIUM ACETATE, AND 100 MM ADA, PH 6.8

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	10 (%)
2	1	reservoir		6 (%)
3	1	reservoir	ammonium acetate	100 (mM)
4	1	reservoir	ADA	100 (mM)
5	1	drop	protain	10 (mg/ml)