6UAP

Crystal structure of tryptophan synthase from M. tuberculosis - open form with BRD6309 bound

Replaces:  6DU1

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	2015-12-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97880
Spacegroup name	P 21 21 21
Unit cell lengths	134.777, 157.877, 166.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.651 - 2.745
R-factor	0.1716
Rwork	0.171
R-free	0.21140
Structure solution method	MOLECULAR REPLACEMENT
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	2.800
High resolution limit [Å]	2.745	7.430	2.745
Rmerge	0.165	0.036	1.120
Rmeas	0.181	0.039	1.230
Rpim	0.072	0.016	0.500
Number of reflections	93179	4910	4538
<I/σ(I)>	5.1
Completeness [%]	99.7	98.9	99.4
Redundancy	6	5.8	5.7
CC(1/2)		0.999	0.651

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	289	8% TACSIMATE, 20% PEG3350, 5% PEG400, PH 8.0