6U6C

Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate- and GSK2-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	135.106, 159.226, 164.973
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.876 - 2.402
R-factor	0.1537
Rwork	0.153
R-free	0.19510
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 (1.15.2_3472)

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	0.308	0.067	1.649
Rmeas	0.321	0.070	1.733
Rpim	0.089	0.020	0.527
Total number of observations	1758336
Number of reflections	138216	7294	6845
<I/σ(I)>	3
Completeness [%]	99.7	99.5	99.7
Redundancy	12.7	12.6	10.7
CC(1/2)		0.995	0.661

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	0.2M sodium malonate, 20% PEG3350