7BIG

Crystal structure of v13WRAP-T, a 7-bladed designer protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	64.933, 81.484, 87.424
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.520 - 1.800
R-factor	0.1977
Rwork	0.195
R-free	0.24290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ymu
RMSD bond length	0.004
RMSD bond angle	0.727
Data reduction software	DIALS (3.0.4)
Data scaling software	Aimless (CCP4Interface 6.5.000)
Phasing software	PHASER (CCP4Interface 6.5.000)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.130	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.099	0.951
Rmeas	0.103
Rpim	0.028	0.281
Number of reflections	43750	2554
<I/σ(I)>	15.4	2.5
Completeness [%]	100.0	100
Redundancy	12.967	12.24
CC(1/2)	0.997	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	1.0 M Lithium chloride, 0.1 M HEPES pH7.0, 30% (w/v) PEG 6000