6XP7

Nucleoside Diphosphate Kinase from Aspergillus fumgiatus Af293 bound to ADP

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	2018-04-18
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 21 2 21
Unit cell lengths	53.050, 71.810, 118.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.782 - 2.200
R-factor	0.1848
Rwork	0.182
R-free	0.23820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xp4
Data reduction software	iMOSFLM (7.0.072)
Data scaling software	Aimless (0.7.2)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.782	45.780	2.270
High resolution limit [Å]	2.200	9.070	2.200
Rmerge	0.105	0.036	0.282
Rmeas	0.109	0.038	0.294
Rpim	0.030	0.011	0.083
Total number of observations		4429	21285
Number of reflections	23387	400	1926
<I/σ(I)>	19.1	30.8	9.8
Completeness [%]	98.6	99.4	95.4
Redundancy	12	11.1	11.1
CC(1/2)	0.998	0.998	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	21% PEG 3350, 0.25 M NaCl, 0.1 M HEPES pH 7.5