6XPU

Nucleoside Diphosphate Kinase from Aspergillus fumgiatus Af293 bound to IDP

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 210r
Wavelength(s)	0.954
Spacegroup name	P 21 2 21
Unit cell lengths	52.900, 70.307, 119.133
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.270 - 1.900
R-factor	0.1801
Rwork	0.178
R-free	0.22730
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]	42.271	42.270	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.091	0.026	0.575
Rmeas	0.095	0.027	0.597
Rpim	0.025	0.008	0.158
Total number of observations		4539	31363
Number of reflections	35832	390	2246
<I/σ(I)>	20.7	50.6	5
Completeness [%]	100.0	99.3	100
Redundancy	14	11.6	14
CC(1/2)	0.999	0.999	0.948

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	19.5% PEG 3350, 0.20 M NaCl, 0.1 M HEPES pH 7.5