7YWK

Crystal structure of an engineered TycA variant, TycApPLA, in complex with AMP

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	2020-09-25
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	59.893, 60.617, 250.537
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.290 - 1.390
R-factor	0.1212
Rwork	0.119
R-free	0.16910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1amu
RMSD bond length	0.014
RMSD bond angle	1.884
Data reduction software	XDS (Jan 31, 2020)
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.300	1.440
High resolution limit [Å]	1.390	1.390
Rmerge	0.035
Rmeas	0.038
Rpim	0.015
Number of reflections	164330	5752
<I/σ(I)>	25.87	1.09
Completeness [%]	89.2
Redundancy	5.4
CC(1/2)	1.000	0.610

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, NaF (0.5 M) and 10 nL TycApPLA (L313P) seeds