5TCF

Crystal structure of tryptophan synthase from M. tuberculosis - ligand-free 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	CCD
Collection date	2015-08-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	135.137, 157.989, 166.651
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.460
R-factor	0.17639
Rwork	0.176
R-free	0.20734
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kfj
RMSD bond length	0.011
RMSD bond angle	1.421
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.490
High resolution limit [Å]	2.450	2.450
Rmerge	0.112	0.801
Number of reflections	128446
<I/σ(I)>	16.36	2.03
Completeness [%]	99.9	99.7
Redundancy	6.5	5.4
CC(1/2)		0.703

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	289	8% tacsimate pH 8.0, 20% PEG3350, 100 mM KCl, cryo 17% ethylene glycol