7BID

Crystal structure of v31WRAP-T, a 7-bladed designer protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-18
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	44.636, 61.396, 99.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.720 - 1.800
R-factor	0.1494
Rwork	0.148
R-free	0.18270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ymu
RMSD bond length	0.016
RMSD bond angle	1.339
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.640	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.025	0.042
Rpim	0.010	0.019
Number of reflections	26008	7304
<I/σ(I)>	55.4	21.6
Completeness [%]	99.8	97.3
Redundancy	8.6	5
CC(1/2)	1.000	0.998

Crystallization Conditions

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