7BIF

Crystal structure of v22WRAP-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 EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	63.853, 72.886, 93.545
Unit cell angles	90.00, 96.00, 90.00

Refinement procedure

Resolution	50.070 - 1.400
R-factor	0.1572
Rwork	0.156
R-free	0.18130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ymu
RMSD bond length	0.006
RMSD bond angle	1.010
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]	57.370	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.039	0.191
Rmeas	0.042	0.214
Rpim	0.016	0.094
Number of reflections	166377	7202
<I/σ(I)>	25.5	6.2
Completeness [%]	99.2	86.5
Redundancy	6.5	4.9
CC(1/2)	1.000	0.969

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2M Sodium thiocyanate pH 6.9, 20%(w/v)PEG 3350