6NCR

Crystal Structure of Tryptophan-tRNA ligase from Chlamydia trachomatis with bound L-tryptophan

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9774
Spacegroup name	P 21 21 21
Unit cell lengths	50.890, 61.050, 246.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.029 - 1.750
R-factor	0.1717
Rwork	0.171
R-free	0.19580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g36
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.029	47.029	1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.036	0.015	0.609
Rmeas	0.040	0.016	0.664
Total number of observations	496022
Number of reflections	78460	1009	5749
<I/σ(I)>	23.41	61.77	2.47
Completeness [%]	99.8	99	100
Redundancy	6.322	5.693	6.361
CC(1/2)	1.000	1.000	0.841

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	290	ChtrB.00743.a.B1.PW38496 at 17.16 mg/ml was incubated with 3 mM L-Trp, magnesium chloride, and AMPPNP, then was mixed 1:1 with MCSG1(c11): 20.0% (w/v) PEG 3000, 0.2 M calcium acetate, 0.1 M Tris base/ HCl, pH=7.0 and cryoprotected with 20% ethylene glycol. Tray: 302466c11, puck: xcr5-13