6QV2

Structure of ATPgS-bound outward-facing TM287/288 in complex with nanobody Nb_TM#2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-15
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000
Spacegroup name	P 1
Unit cell lengths	88.600, 113.070, 126.890
Unit cell angles	83.18, 73.00, 67.37

Refinement procedure

Resolution	32.590 - 4.230
R-factor	0.307
Rwork	0.306
R-free	0.33000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.900
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.590	32.590	4.320
High resolution limit [Å]	4.220	18.850	4.220
Rmerge	0.052	0.010	0.351
Rmeas	0.061	0.012	0.410
Number of reflections	18010	320	48
<I/σ(I)>	16.12	117.77	3.25
Completeness [%]	57.4	92.8	2.1
Redundancy	3.533	3.734	3.583
CC(1/2)	1.000	1.000	0.838

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1M TRIS, 0.1M NaCl, 30% (v/v) PEG 400