5TCH

Crystal structure of tryptophan synthase from M. tuberculosis - ligand-free form, TrpA-G66V mutant

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	2015-12-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	134.321, 158.813, 166.218
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.350
R-factor	0.17565
Rwork	0.175
R-free	0.20571
RMSD bond length	0.011
RMSD bond angle	1.422
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.390
High resolution limit [Å]	2.350	2.350
Rmerge	0.124	0.895
Number of reflections	148100
<I/σ(I)>	17	2.05
Completeness [%]	100.0	99.9
Redundancy	7.1	6
CC(1/2)		0.707

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	289	8% tacsimate pH 8.0, 20% PEG3350, cryo 20% ethylene glycol