9FT5

25-hydroxy steroid kinase (25-HSK) + ADP + 25-phospho-cholest-1,4-diene-3-one

This is a non-PDB format compatible entry.

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	2022-03-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	77.880, 154.870, 89.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.030 - 2.200
R-factor	0.2334
Rwork	0.232
R-free	0.26380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.721
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	2.300
High resolution limit [Å]	2.200	12.000	2.200
Rmerge	0.105	0.033	0.812
Rmeas	0.117	0.036	1.055
Number of reflections	26672	202	2442
<I/σ(I)>	10.73
Completeness [%]	95.7
Redundancy	4.8
CC(1/2)	0.996	0.998	0.649

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	PEG 3350, isopropanol, sodium acetate, calcium chloride