6GCU

MET receptor in complex with InlB internalin domain and DARPin A3A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9772
Spacegroup name	P 31
Unit cell lengths	144.874, 144.874, 128.896
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.149 - 6.001
R-factor	0.2629
Rwork	0.263
R-free	0.27090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2uzy
RMSD bond length	0.011
RMSD bond angle	1.768
Data reduction software	XDS (20170923)
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX ((dev_3071: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.150	6.700
High resolution limit [Å]	6.000	6.000
Rmerge	0.275	1.701
Rmeas	0.296	1.813
Rpim	0.107	0.646
Number of reflections	7600	2174
<I/σ(I)>	5.2	1.4
Completeness [%]	99.9	100
Redundancy	7.4	7.7
CC(1/2)	0.982	0.552

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	0.1 M HEPES sodium salt pH 7.5, 12% w/v PEG4000, protein complex concentration 5 mg/mL, equimolar ratio of macromolecules, drop size 0.2 uL, protein:reservoir ratio 1:1