6I2G

ALFA-tag binding nanobody (NbALFA) bound to ALFA-tag peptide.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	77
Detector technology	PIXEL
Collection date	2018-04-06
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.92
Spacegroup name	C 1 2 1
Unit cell lengths	101.245, 32.379, 64.735
Unit cell angles	90.00, 147.22, 90.00

Refinement procedure

Resolution	50.330 - 1.500
R-factor	0.1669
Rwork	0.165
R-free	0.19978
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vnv
RMSD bond length	0.013
RMSD bond angle	1.857
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.360	1.540
High resolution limit [Å]	1.500	1.500
Number of reflections	17571
<I/σ(I)>	12.7
Completeness [%]	95.2
Redundancy	5.6
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	Crystal grew in a drop containing 100 nl of 100mM sodium citrate pH6.0, 2M ammonium sulphate, 4% v/v tert-Butanol, and 100 nl of the peptide-bound protein (10.1mg/ml NbALFA-ALFA peptide complex, 20mM HEPES pH7.4, 100mM NaCl, 10% glycerol).