7YTQ

Human langerin carbohydrate recognition domain in complex with an alpha-mannoside ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2022-04-23
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	P 42
Unit cell lengths	80.030, 80.030, 90.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.940 - 1.600
R-factor	0.1841
Rwork	0.182
R-free	0.21340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c22
RMSD bond length	0.006
RMSD bond angle	0.878
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.940	19.940	1.630
High resolution limit [Å]	1.600	8.760	1.600
Rmerge	0.085	0.054	1.002
Rmeas	0.092	0.059	1.078
Rpim	0.033	0.023	0.395
Number of reflections	74724	439	3721
<I/σ(I)>	12.4	27	2.1
Completeness [%]	100.0	91.9	100
Redundancy	7.6	6.8	7.4
CC(1/2)	0.998	0.997	0.686

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	100 mM HEPES, 200 mM MgCl2, 28% PEG 3350