9VTC

Crystal structure of DciF 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	2021-07-20
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	71.670, 88.730, 93.910
Unit cell angles	90.00, 104.05, 90.00

Refinement procedure

Resolution	49.750 - 1.850
R-factor	0.1939
Rwork	0.193
R-free	0.24290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.004
RMSD bond angle	0.817
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]	49.750	1.916
High resolution limit [Å]	1.850	1.850
Number of reflections	97305	9679
<I/σ(I)>	10.67
Completeness [%]	100.0
Redundancy	81.5
CC(1/2)	0.996	0.524

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		283	Bis-Tris, PEGMME5000