7DMF

A de novo protein that rigidly extends the structure of tVHS-like domain in tepsin with a new designed domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97892
Spacegroup name	P 65
Unit cell lengths	69.727, 69.727, 79.291
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.181 - 2.201
R-factor	0.2357
Rwork	0.232
R-free	0.26860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wf2
Data scaling software	HKL-2000
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.136	0.058	0.566
Rmeas	0.140	0.059	0.584
Rpim	0.031	0.014	0.140
Total number of observations	218738
Number of reflections	11185	590	545
<I/σ(I)>	4.1
Completeness [%]	100.0	99.8	100
Redundancy	19.6	19.1	17.2
CC(1/2)		0.998	0.943

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	20% w/v Polyethylene glycol 3350, pH 7.0, 0.2M Potassium Chloride