4ONC

Crystal Structure of Mycobacterium Tuberculosis Decaprenyl Diphosphate Synthase in Complex with BPH-640

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	298
Detector technology	CCD
Collection date	2012-06-01
Detector	MARMOSAIC 300 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	77.809, 89.167, 93.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.730 - 1.830
R-factor	0.159
Rwork	0.157
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vg4
RMSD bond length	0.025
RMSD bond angle	2.314
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	CCP4
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.830	1.830
Number of reflections	58370
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.1M HEPES, 10% GLYCEROL, 25% PEG 400, 7% PEG 3000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K