7DLA

Crystal structure of nucleoside transporter NupG (D323A mutant)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-30
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9791
Spacegroup name	C 1 2 1
Unit cell lengths	145.332, 47.096, 63.383
Unit cell angles	90.00, 94.90, 90.00

Refinement procedure

Resolution	19.766 - 3.000
R-factor	0.2382
Rwork	0.234
R-free	0.27690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Predict model from robetta webiste
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.770	19.770	3.180
High resolution limit [Å]	3.000	9.000	3.000
Rmerge	0.173	0.063	0.983
Rmeas	0.191	0.071	1.082
Rpim	0.081	0.032	0.444
Total number of observations	47341	1518	7908
Number of reflections	8747	318	1409
<I/σ(I)>	7.5	23.8	1.7
Completeness [%]	99.6	90.7	99.9
Redundancy	5.4	4.8	5.6
CC(1/2)	0.995	0.994	0.823

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	0.1 M NaCl, 0.1 M MgCl2, 0.1M MES pH6.0, 30% PEG550MME