6UB9

Crystal structure of tryptophan synthase from M. tuberculosis - AMINOACRYLATE- AND BRD6309-BOUND FORM

Replaces:  6DUA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9788
Spacegroup name	P 21 21 21
Unit cell lengths	135.373, 159.619, 164.932
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.893 - 2.783
R-factor	0.1695
Rwork	0.169
R-free	0.20970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tcj
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.850
High resolution limit [Å]	2.783	7.560	2.800
Rmerge	0.201	0.039	1.296
Rmeas	0.219	0.043	1.425
Rpim	0.086	0.017	0.579
Number of reflections	84351	4736	4072
<I/σ(I)>	4.5
Completeness [%]	94.5	99.8	92.3
Redundancy	6	6.2	5.3
CC(1/2)		0.995	0.589

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	289	8% TACSIMATE, 20% PEG3350, 5% PEG400