9VTD

Crystal structure of MaeF 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	2022-04-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	I 41 2 2
Unit cell lengths	119.490, 119.490, 78.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.790 - 1.570
R-factor	0.1892
Rwork	0.187
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.018
RMSD bond angle	1.453
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.790	1.610
High resolution limit [Å]	1.570	1.570
Rmerge	0.212
Number of reflections	39686	2805
<I/σ(I)>	22.89
Completeness [%]	99.5
Redundancy	119
CC(1/2)	0.999	0.558

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		283	Potassium Thiocyanate, PEGMME2000, magnesium chloride Tris-HCl