9FSG

25-hydroxy steroid kinase (25-HSK) + 25-OH-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	2021-09-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	54.130, 100.470, 140.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.840 - 1.600
R-factor	0.2074
Rwork	0.206
R-free	0.23830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.926
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	1.700
High resolution limit [Å]	1.600	12.000	1.600
Rmerge	0.046	0.022	1.837
Rmeas	0.051	0.025	2.027
Number of reflections	101555	291	16658
<I/σ(I)>	15.99
Completeness [%]	99.8
Redundancy	4.8
CC(1/2)	0.999	0.999	0.542

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	PEG 8000, MES pH 6.5, zinc acetate