7LNX

I146A mutant of the isopentenyl phosphate kinase from Candidatus methanomethylophilus alvus

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	2020-07-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	40.565, 73.277, 166.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.420 - 2.300
R-factor	0.2565
Rwork	0.251
R-free	0.31070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.534
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.420	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.111	0.691
Rmeas	0.130	0.877
Rpim	0.070	0.531
Number of reflections	22800	2038
<I/σ(I)>	10.1	1.7
Completeness [%]	99.0	92.1
Redundancy	6.2	4.2
CC(1/2)	0.998	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295	0.1 M Bis-Tris pH 5.5 28% PEG 3350. 0.1 M Sodium Chloride