5MP2

XcpQN012 in complex with VHH04

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9801
Spacegroup name	P 1
Unit cell lengths	40.060, 63.790, 76.050
Unit cell angles	104.37, 100.61, 108.04

Refinement procedure

Resolution	38.750 - 2.900
R-factor	0.215
Rwork	0.213
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e9j 5m2w
RMSD bond length	0.012
RMSD bond angle	1.200
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.750	3.060
High resolution limit [Å]	2.900	2.900
Rmerge	0.099	0.531
Number of reflections	14042
<I/σ(I)>	6.2	1.4
Completeness [%]	95.2	97.2
Redundancy	2	2.1
CC(1/2)	0.989	0.444

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M BIS-TRIS pH=5.5 25% (w/v) PEG 3350