4TZK

Crystal structure of Mycobacterium tuberculosis enoyl reductase (INHA) complexed WITH 1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXAMIDE

Replaces:  2H7M

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-08-23
Detector	ADSC QUANTUM 210
Wavelength(s)	1.1159
Spacegroup name	P 62 2 2
Unit cell lengths	97.794, 97.794, 140.661
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	54.110 - 1.620
R-factor	0.1379
Rwork	0.137
R-free	0.15090
RMSD bond length	0.010
RMSD bond angle	1.304
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.110	1.720
High resolution limit [Å]	1.620	1.620
Rmerge	0.085	0.160
Number of reflections	50993
<I/σ(I)>	8.9	2.8
Completeness [%]	99.9	99.3
Redundancy	3.6	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	8% MPD, 50mM NA citrate pH6.5, 100 mM HEPES pH7.5