7YWJ

Crystal structure of an engineered TycA variant, TycA pPLA (L313P)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-10
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	60.043, 60.419, 249.243
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.860 - 1.749
R-factor	0.1767
Rwork	0.175
R-free	0.20940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1amu
RMSD bond length	0.008
RMSD bond angle	0.960
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	BUSTER (2.10.3 (18-SEP-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.900	1.812
High resolution limit [Å]	1.749	1.749
Rmerge	0.120
Rmeas	0.124
Rpim	0.034
Number of reflections	92757	9168
<I/σ(I)>	16.51	0.92
Completeness [%]	100.0	99.92
Redundancy	13.2	12.9
CC(1/2)	0.999	0.378

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	(NH4)2SO4 (0.2 M), PEG 3,350 (25% (w/v)), BisTris (0.1 M) pH 5.5, and di-sodium malonate (1 M)