9VT9

Crystal structure of OcyF bound with DMASPP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-23
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 32
Unit cell lengths	49.673, 49.673, 208.298
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.020 - 1.600
R-factor	0.1965
Rwork	0.196
R-free	0.22440
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.269
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.020	1.657
High resolution limit [Å]	1.600	1.600
Number of reflections	76361	7598
<I/σ(I)>	10
Completeness [%]	100.0
Redundancy	31.5
CC(1/2)	0.990	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		283	100 mM Tris, pH 8, 7.5 mM BaCl2, 13% PEG smear medium