6QKD

CRYSTAL STRUCTURE OF vhh-based FAB-fragment of antibody BCD-085

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-27
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97242
Spacegroup name	P 21 21 21
Unit cell lengths	90.560, 111.920, 165.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.600 - 1.900
R-factor	0.17173
Rwork	0.169
R-free	0.22802
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5i1k 5fgb
RMSD bond length	0.010
RMSD bond angle	1.291
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.053
Number of reflections	132510
<I/σ(I)>	19.2
Completeness [%]	99.9
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	50 mM Na-Ac pH 5.5, 150 mM NaCl with 1.5 M (NH4)2SO4, 150 mM sodium citrate