7NDF

Crystal structure of nanobody Nb_MsbA#1 in complex with the nucleotide binding domain of MsbA

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	2017-11-01
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	63.530, 99.300, 142.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.410 - 2.100
R-factor	0.2071
Rwork	0.205
R-free	0.24390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3b5w
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.410	47.410	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.097	0.015	1.332
Rmeas	0.101	0.016	1.389
Total number of observations	713196
Number of reflections	53394	686	3898
<I/σ(I)>	23.18	121.96	2.29
Completeness [%]	100.0	99	100
Redundancy	13.357	12.5	12.388
CC(1/2)	1.000	1.000	0.762

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293.15	KSCN, sodium acetate, PEG 6000