6OB6

Human equilibrative nucleoside transporter-1, S-(4-nitrobenzyl)-6-thioinosine bound, merohedrally twinned

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	CCD
Collection date	2018-11-06
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 61
Unit cell lengths	72.532, 72.532, 335.458
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	62.815 - 2.900
R-factor	0.2137
Rwork	0.205
R-free	0.25150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ob7
RMSD bond length	0.002
RMSD bond angle	0.526
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.820	3.080
High resolution limit [Å]	2.900	2.900
Number of reflections	21282	815
<I/σ(I)>	4	0.8
Completeness [%]	74.9	21
Redundancy	7.8
CC(1/2)	0.930	0.330

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	8	298	30% PEG 500 MME, 0.1M magnesium chloride hexahydrate, 0.1M Tris-HCl pH 8.0