9I4R

N-terminal Oic streptag II in Sav E44V-S45T-V47R-D67A-K121R variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-01
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 1 21 1
Unit cell lengths	47.550, 105.892, 51.246
Unit cell angles	90.00, 106.45, 90.00

Refinement procedure

Resolution	19.480 - 1.840
R-factor	0.1778
Rwork	0.176
R-free	0.21290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.096
Data reduction software	XDS (Jun 30, 2024 (BUILT 20240723))
Data scaling software	Aimless (version 0.8.1)
Phasing software	PHENIX
Refinement software	PHENIX (dev_5373)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.480	1.876
High resolution limit [Å]	1.840	1.844
Rmerge	0.108	0.846
Rmeas	0.134	1.044
Number of reflections	39883	1771
<I/σ(I)>	6	1.5
Completeness [%]	95.4
Redundancy	2.7
CC(1/2)	0.988	0.689

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.2M Ammonium citrate dibasic, 20% w/v PEG 3350