6XYF

Nanobody 22

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.948400
Spacegroup name	P 1 21 1
Unit cell lengths	30.322, 38.685, 44.873
Unit cell angles	90.00, 98.27, 90.00

Refinement procedure

Resolution	30.006 - 1.111
Rwork	0.125
R-free	0.15280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i13.pdb
RMSD bond length	0.009
RMSD bond angle	1.089
Data reduction software	XDS (ERSION Mar 15, 2019)
Data scaling software	Aimless (0.7.4)
Refinement software	PHENIX (1.16-3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.010	10.000	1.130
High resolution limit [Å]	1.110	6.090	1.110
Rmerge	0.130	0.074	0.299
Rmeas	0.135	0.077	0.321
Rpim	0.037	0.022	0.111
Total number of observations	495655
Number of reflections	39057	271	1095
<I/σ(I)>	10.2
Completeness [%]	96.3	99.6	55.3
Redundancy	12.7	12.7	6.5
CC(1/2)	0.997	0.996	0.936

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M Bis Tris Propane 100 mM Na/K Phosphate 30 % PEG 3350