6DDK

Crystal structure of the double mutant (D52N/R367Q) of the full-length NT5C2 in the basal state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	121.852, 171.396, 122.424
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.810 - 2.500
R-factor	0.1684
Rwork	0.162
R-free	0.22270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ddb
RMSD bond length	0.007
RMSD bond angle	0.906
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]	49.810	2.550
High resolution limit [Å]	2.500	2.500
Rmerge	0.131	0.530
Rmeas	0.135	0.550
Rpim	0.039	0.150
Number of reflections	44612	2734
<I/σ(I)>	20.4	4.3
Completeness [%]	100.0	100
Redundancy	12.5	12.6
CC(1/2)	0.970	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