7D5Q

Structure of NorC transporter (K398A mutant) in an outward-open conformation in complex with a single-chain Indian camelid antibody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-25
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	70.071, 139.148, 115.555
Unit cell angles	90.00, 105.66, 90.00

Refinement procedure

Resolution	111.520 - 3.600
R-factor	0.30802
Rwork	0.308
R-free	0.31463
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7d5p
RMSD bond length	0.002
RMSD bond angle	1.235
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	139.150	3.840
High resolution limit [Å]	3.600	3.600
Rmerge	0.177	2.760
Rpim	0.043	0.880
Number of reflections	24925	4460
<I/σ(I)>	8.5	1.1
Completeness [%]	99.9	99.3
Redundancy	17.1	10.1
CC(1/2)	0.997	0.486

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.1 M HEPES pH 6.0, 50 mM NaCl, 57.1 mM CaCl2, 35.7% PEG600, 10 mM YCl3, 6.66 mM CHAPSO