9M7F

Crystal structure of AsDMS D333N mutant in complex with farnesyl pyrophosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-10
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.040000
Spacegroup name	P 43 21 2
Unit cell lengths	96.546, 96.546, 401.409
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.303 - 2.600
R-factor	0.195099463997
Rwork	0.193
R-free	0.23567
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.008
RMSD bond angle	0.947
Data reduction software	XDS (VERSION Jan 10, 2022 BUILT=20220120)
Data scaling software	XDS (VERSION Jan 10, 2022 BUILT=20220120)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.303	2.693
High resolution limit [Å]	2.600	2.600
Number of reflections	59769	5855
<I/σ(I)>	13.84	1.85
Completeness [%]	100.0	100
Redundancy	13.5	14.2
CC(1/2)	0.998	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.72 M ammonium sulfate, 0.095 M MES-NaOH pH6.5, 0.005 M MES-NaOH pH7.0