8U0K

Crystal structure of isopentenyl phosphate kinase from Thermococcus paralvinellae bound to DMAP and ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98000
Spacegroup name	P 21 21 2
Unit cell lengths	96.623, 101.561, 64.816
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.740 - 2.500
R-factor	0.2143
Rwork	0.210
R-free	0.26160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7lnt
RMSD bond length	0.003
RMSD bond angle	0.661
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.740	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.107	1.277
Rmeas	0.126	1.579
Number of reflections	22535	2301
<I/σ(I)>	10.9
Completeness [%]	99.1
Redundancy	6.4
CC(1/2)	0.998	0.463

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	294	0.13 M magnesium formate, 10% PEG3350