6DDO

Crystal structure of the single mutant (D52N) of the full-length NT5C2 in the basal state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2017-06-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	122.103, 173.142, 123.265
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.051 - 2.480
R-factor	0.1915
Rwork	0.188
R-free	0.22650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ddk
RMSD bond length	0.002
RMSD bond angle	0.463
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	COMO
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.051	2.530
High resolution limit [Å]	2.480	2.480
Rmerge	0.120	0.510
Rmeas	0.130	0.510
Rpim	0.050	0.200
Number of reflections	46552	3088
<I/σ(I)>	19.7	2.4
Completeness [%]	100.0	100
Redundancy	7.4	7.5
CC(1/2)	0.960	0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	293	100 mM HEPES (pH 7.5), 10% (w/v) PEG 3350, and 200 mM L-proline