7N2B

A DARPin semi-rigidly fused to the 3TEL crystallization chaperone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979460
Spacegroup name	P 1 21 1
Unit cell lengths	45.962, 63.625, 166.005
Unit cell angles	90.00, 90.16, 90.00

Refinement procedure

Resolution	40.160 - 3.221
R-factor	0.2273
Rwork	0.226
R-free	0.24250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qar 4j7w
RMSD bond length	0.003
RMSD bond angle	0.563
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.160	3.336
High resolution limit [Å]	3.221	3.221
Rmerge	0.071	0.506
Rmeas	0.084	0.605
Rpim		0.328
Number of reflections	13842	1491
<I/σ(I)>	10.98	2.46
Completeness [%]	87.3	95.36
Redundancy	3.3	3.3
CC(1/2)	0.999	0.906

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	298	200 mM L-Proline, 100 mM HEPES, 10 % w/v Polyethylene glycol 3350