6Z20

Structure of the EC2 domain of CD9 in complex with nanobody 4C8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-17
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	I 21 21 21
Unit cell lengths	75.645, 121.415, 129.249
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.710 - 2.680
R-factor	0.2084
Rwork	0.206
R-free	0.24830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rlo
RMSD bond length	0.003
RMSD bond angle	0.495
Data reduction software	DIALS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	88.490	2.830
High resolution limit [Å]	2.680	2.680
Rmerge	0.130	1.780
Rpim	0.050	0.710
Number of reflections	14256	750
<I/σ(I)>	9.5	1.1
Completeness [%]	93.9	55.8
Redundancy	6.7	7.3
CC(1/2)	0.997	0.507

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	0.095 M sodium citrate pH 5.6, 5% (v/v) glycerol, 19% (v/v) isopropanol, 20% (w/v) PEG 4,000. The crystal was cryoprotected by soaking in reservoir solution supplemented with 25% glycerol (final concentration).