9FU5

25-hydroxy steroid kinase + AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	68.050, 68.050, 185.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.760 - 1.500
R-factor	0.2244
Rwork	0.223
R-free	0.24520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.947
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.600
High resolution limit [Å]	1.500	12.000	1.500
Rmerge	0.056	0.036	2.025
Rmeas	0.060	0.040	2.147
Number of reflections	70696	170	12239
<I/σ(I)>	14.54
Completeness [%]	99.9
Redundancy	4.8
CC(1/2)	0.999	0.996	0.534

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	TMPE 1014, MES, Arg, Glu