9EBM

Piperazate synthase (PipS) in complex with haem and N5-OH-L-ornithine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97936
Spacegroup name	P 61 2 2
Unit cell lengths	67.002, 67.002, 479.001
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	79.830 - 1.920
R-factor	0.1758
Rwork	0.174
R-free	0.21160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.893
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.830	1.970
High resolution limit [Å]	1.920	1.920
Rpim	0.045	0.506
Number of reflections	50850	3343
<I/σ(I)>	13.3	2
Completeness [%]	100.0
Redundancy	27.3
CC(1/2)	0.998	0.778

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.76 M sodium citrate tribasic dihydrate, 0.1 M sodium cacodylate, pH 6.5