9G2I

25-phosphosteroid lyase + phosphate

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	2023-09-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	141.700, 143.570, 96.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.890 - 2.000
R-factor	0.2381
Rwork	0.237
R-free	0.28190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.907
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	2.100
High resolution limit [Å]	2.000	12.000	2.000
Rmerge	0.120	0.029	1.784
Rmeas	0.131	0.032	1.966
Number of reflections	131775	693	17450
<I/σ(I)>	9.52
Completeness [%]	98.6
Redundancy	5.8
CC(1/2)	0.998	0.998	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	PEG 3350, MPD, lithium sulfate, imidazole, pH 6.5