9W0H

S1P3 in complex with cpd-32 and spm242

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	71.911, 301.701, 70.055
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.500 - 3.000
R-factor	0.2436
Rwork	0.242
R-free	0.26780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.725
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.500	3.100
High resolution limit [Å]	3.000	3.000
Rpim	0.104
Number of reflections	18928	15726
<I/σ(I)>	8
Completeness [%]	99.7
Redundancy	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293.15	100 mM Tris-HCl, pH 8.0, 18% PEG500DME, 50 mM NaCl, 50 mM Li2SO4, 12 mM ATP