9FZN

25-phosphosteroid lyase (25-PSL)

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	2022-08-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	96.470, 144.540, 68.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	9.990 - 1.950
R-factor	0.2112
Rwork	0.210
R-free	0.23590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.942
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	2.050
High resolution limit [Å]	1.950	12.000	1.950
Rmerge	0.031	0.014	1.520
Rmeas	0.034	0.015	1.675
Number of reflections	70271	351	9553
<I/σ(I)>	24.56
Completeness [%]	99.8
Redundancy	6.6
CC(1/2)	1.000	1.000	0.546

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	PEG4000, hexantriol, buffer-mix pH 8.5, polyamine