7LNU

Ternary complex of the Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus bound to isopentenyl monophosphate and ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-20
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	40.892, 74.503, 171.691
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.390 - 2.500
R-factor	0.2324
Rwork	0.229
R-free	0.28680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	cma apo model
RMSD bond length	0.002
RMSD bond angle	0.652
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.500	2.500
Rmeas	0.100	0.681
Rpim	0.047	0.394
Number of reflections	18714	815
<I/σ(I)>	11.9	1.93
Completeness [%]	91.0
Redundancy	4.2
CC(1/2)	0.991	0.650

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		275	0.1 M Bis-Tris, pH 5.5 28% PEG 3350 0.1 M Sodium Chloride