7Q58

Crystal structure of the SAKe6BR designer protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.88560
Spacegroup name	P 1 21 1
Unit cell lengths	34.384, 50.322, 71.324
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.390 - 1.300
R-factor	0.1472
Rwork	0.146
R-free	0.17490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Designed model
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2-4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.120	41.120	1.320
High resolution limit [Å]	1.300	7.120	1.300
Rmerge	0.043	0.030	0.628
Rmeas	0.046	0.033	0.685
Rpim	0.018	0.013	0.270
Total number of observations	397073	2352	19066
Number of reflections	59961	388	2997
<I/σ(I)>	20.2	51.1	2.7
Completeness [%]	100.0	98.9	99.9
Redundancy	6.6	6.1	6.4
CC(1/2)	1.000	0.999	0.861

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.09 M HEPES sodium salt pH 7.5, 1.26 M tri-Sodium citrate, 10% (v/v) Glycerol