9IZ3

Crystal structure of phosphonopyruvate decarboxylase RhiEF from Bacillus subtilis ATCC6633

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	2017-11-25
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0000
Spacegroup name	P 32 2 1
Unit cell lengths	176.991, 176.991, 68.600
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.980 - 2.460
R-factor	0.2412
Rwork	0.239
R-free	0.27170
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.860
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.260	2.550
High resolution limit [Å]	2.460	2.460
Rpim	0.026	0.470
Number of reflections	44917	4670
<I/σ(I)>	18	2
Completeness [%]	99.8	99.7
Redundancy	10.3	10.5
CC(1/2)	0.999	0.785

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	1.3M ammonium sulfate, 0.1M sodium citrate, 4% v/v tert-butanol