9QLK

Structure of piperazate synthase from Streptomyces sp.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-09-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.8731
Spacegroup name	P 32
Unit cell lengths	141.708, 141.708, 57.128
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	51.790 - 2.140
R-factor	0.1962
Rwork	0.193
R-free	0.26520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.195
Data reduction software	XDS (20250430)
Data scaling software	Aimless (0.7.15)
Phasing software	MOLREP (11.9.02)
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.790	2.170
High resolution limit [Å]	2.140	2.140
Rmerge		1.288
Rmeas	0.160	1.428
Rpim	0.069	0.612
Number of reflections	78184	3163
<I/σ(I)>	7	0.9
Completeness [%]	100.0	100
Redundancy	5.3	5.4
CC(1/2)	0.996	0.382

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.16 M Ca acetate, 0.08 M Na cacodylate, 14.4% PEG 8000, 20% Glycerol