7SAY

Fragment of streptococcal M87 protein fused to GCN4 adaptor in complex with human cathelicidin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	50.230, 57.140, 71.490
Unit cell angles	90.00, 102.70, 90.00

Refinement procedure

Resolution	45.020 - 2.100
R-factor	0.2281
Rwork	0.226
R-free	0.27100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kql
RMSD bond length	0.001
RMSD bond angle	0.320
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.020	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.118	0.667
Rmeas	0.128	0.735
Rpim	0.050	0.302
Number of reflections	22092	1694
<I/σ(I)>	8.5	2.1
Completeness [%]	94.5
Redundancy	6.1
CC(1/2)	0.996	0.878

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	10% (v/v) acetonitrile, 0.1 M MES-NaOH, pH 6.5