6CK8

Crystal structure of anti-influenza single-domain llama antibody SD38

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-10-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03320
Spacegroup name	C 1 2 1
Unit cell lengths	118.018, 75.267, 57.250
Unit cell angles	90.00, 92.62, 90.00

Refinement procedure

Resolution	43.007 - 2.050
R-factor	0.1786
Rwork	0.177
R-free	0.21110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4grw
RMSD bond length	0.002
RMSD bond angle	0.668
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.090
High resolution limit [Å]	2.050	2.050
Rpim	0.030	0.140
Number of reflections	30303	1084
<I/σ(I)>	27.3	3.5
Completeness [%]	96.0	70
Redundancy	4.9	2.8
CC(1/2)	1.000	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	0.085 M HEPES, pH 8.5, 1.4 M ammonium sulfate, 1.7%(v/v) PEG400, 15% glycerol