8GMH

Crystal Structure of the ternary complex of TelA-LXG, LapA3, and LapA4

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	PIXEL
Collection date	2022-08-01
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97918
Spacegroup name	P 1
Unit cell lengths	51.925, 61.419, 97.916
Unit cell angles	77.68, 77.14, 65.06

Refinement procedure

Resolution	45.080 - 2.600
R-factor	0.2168
Rwork	0.215
R-free	0.25770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.001
RMSD bond angle	0.300
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.209	0.122	0.858
Rmeas	0.243	0.142	1.045
Rpim	0.123	0.072	0.586
Total number of observations	117339
Number of reflections	31528	1601	1504
<I/σ(I)>	3.9
Completeness [%]	97.2	98.1	92.9
Redundancy	3.7	4	2.7
CC(1/2)	0.948	0.978	0.478

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.02M Magnesium chloride 0.1M HEPES:NaOH pH 7.5 22% (w/v) polyacrylic acid 5100