6XPT

Nucleoside Diphosphate Kinase from Aspergillus fumgiatus Af293 bound to UDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-07-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	66.648, 126.820, 134.942
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.207 - 2.300
R-factor	0.179
Rwork	0.176
R-free	0.23270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xp7
Data reduction software	XDS (20161205)
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.420	47.420	2.370
High resolution limit [Å]	2.300	9.480	2.300
Rmerge	0.118	0.041	0.490
Rmeas	0.123	0.043	0.508
Rpim	0.033	0.012	0.133
Total number of observations	722801	9402	64178
Number of reflections	51651	843	4420
<I/σ(I)>	16.2	34.7	4.9
Completeness [%]	100.0	99.2	100
Redundancy	14	11.2	14.5
CC(1/2)	0.999	0.999	0.972

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	19% PEG 3350, 0.25 M NaCl, 0.1 M HEPES pH 7.5