6USA

Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate- and GSK1-bound form

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	PIXEL
Collection date	2018-04-24
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	134.920, 160.037, 165.151
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.892 - 2.406
R-factor	0.1583
Rwork	0.158
R-free	0.19150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dwe
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.440
High resolution limit [Å]	2.400	6.490	2.400
Rmerge	0.345	0.086	2.178
Rmeas	0.352	0.088	2.237
Rpim	0.070	0.018	0.499
Total number of observations	3436417
Number of reflections	137941	7278	6867
<I/σ(I)>	3.1
Completeness [%]	99.8	99.6	99.9
Redundancy	24.9	25.3	20.7
CC(1/2)		0.994	0.697

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	289	8% TACSIMATE, 20% PEG3350, 100 MM SODIUM MALONATE