6DDQ

Crystal structure of the double mutant (R39Q/D52N) of the full-length NT5C2 in the basal state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	121.530, 171.054, 122.206
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.764 - 2.310
R-factor	0.1632
Rwork	0.157
R-free	0.21790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ddk
RMSD bond length	0.007
RMSD bond angle	1.018
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	COMO
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.764	2.370
High resolution limit [Å]	2.310	2.310
Rmerge	0.110	0.540
Rmeas	0.120	0.560
Rpim	0.040	0.150
Number of reflections	55929
<I/σ(I)>	16.2	4
Completeness [%]	99.9	100
Redundancy	13.7	13.8
CC(1/2)	0.980	0.930

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