6EC8

Glutamylation domain, TbtB, from thiomuracin biosynthesis bound to 5'-phosphodesmethylglutamycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-20
Detector	RAYONIX MX-300
Wavelength(s)	0.9787
Spacegroup name	P 1 21 1
Unit cell lengths	44.503, 96.098, 107.128
Unit cell angles	90.00, 98.84, 90.00

Refinement procedure

Resolution	71.000 - 2.148
R-factor	0.21557
Rwork	0.213
R-free	0.26638
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ec7
RMSD bond length	0.014
RMSD bond angle	1.824
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	96.100	2.185
High resolution limit [Å]	2.148	2.148
Rmerge	0.062	0.727
Rpim	0.027	0.311
Number of reflections	48184	2366
<I/σ(I)>	17.6
Completeness [%]	99.1
Redundancy	6.4
CC(1/2)	0.999	0.877

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.2 M ammonium sulfate, 15% PEG