6DDX

Crystal structure of the double mutant (D52N/L375F) of NT5C2-537X in the active state, Northeast Structural Genomics Target

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	2014-12-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	92.193, 127.066, 130.618
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.540 - 2.901
R-factor	0.2118
Rwork	0.205
R-free	0.27410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ddh
RMSD bond length	0.007
RMSD bond angle	0.895
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]	45.540	2.950
High resolution limit [Å]	2.901	2.901
Rmerge	0.090	0.400
Rmeas	0.100	0.430
Number of reflections	16680	821
<I/σ(I)>	23.9	4.4
Completeness [%]	98.8	100
Redundancy	7	7
CC(1/2)	0.990	0.970

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7	293	1.8 M ammonium citrate tribasic (pH 7)