6DDZ

Crystal structure of the double mutant (D52N/R238W) of NT5C2-537X in the active state, Northeast Structural Genomics Target

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-12
Detector	SBC-2
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	92.677, 127.293, 131.131
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.583 - 1.970
R-factor	0.1805
Rwork	0.178
R-free	0.20290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ddh
RMSD bond length	0.006
RMSD bond angle	0.844
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]	33.583	2.050
High resolution limit [Å]	1.970	1.970
Rmerge	0.076	0.588
Rmeas	0.080	0.639
Rpim	0.023	0.244
Number of reflections	54413	6045
<I/σ(I)>	30.9	2.9
Completeness [%]	99.8	100
Redundancy	10.1	6.6
CC(1/2)	0.980	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7	293	35% (w/v) tascimate (pH 7)