9IZ4

Crystal structure of phosphonopyruvate decarboxylase RhiEF from Bacillus subtilis ATCC6633 in complex with thiamine pyrophosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2019-11-09
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	79.115, 156.494, 172.971
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.550 - 3.050
R-factor	0.2345
Rwork	0.232
R-free	0.27630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.551
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.790	3.170
High resolution limit [Å]	3.050	3.050
Rpim	0.058	0.444
Number of reflections	41754	4645
<I/σ(I)>	10.7	2
Completeness [%]	100.0
Redundancy	6.6
CC(1/2)	0.998	0.691

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% w/v PEG 3350, 0.2M magnesium acetate