5VY2

Crystal structure of the F36A mutant of HsNUDT16

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E DW
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-01
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	57.202, 49.589, 64.284
Unit cell angles	90.00, 114.59, 90.00

Refinement procedure

Resolution	50.000 - 2.300
R-factor	0.1919
Rwork	0.189
R-free	0.25330
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	pdbid XX
RMSD bond length	0.011
RMSD bond angle	1.612
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.070	0.051	0.135
Rmeas	0.090	0.067	0.183
Rpim	0.055	0.043	0.123
Number of reflections	13719
<I/σ(I)>	20.3
Completeness [%]	92.0	92.2	74.3
Redundancy	2.5	2.3	1.7
CC(1/2)		0.992	0.956

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	9.5	293	PEG 8000, CHES