9CYA

C387S variant of D-ornithine/D-lysine decarboxylase complexed with HEPES and putrescine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-18
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.979493
Spacegroup name	C 1 2 1
Unit cell lengths	139.387, 50.591, 73.308
Unit cell angles	90.00, 120.88, 90.00

Refinement procedure

Resolution	59.820 - 1.400
R-factor	0.1542
Rwork	0.153
R-free	0.18160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.003
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.820	1.420
High resolution limit [Å]	1.400	1.400
Number of reflections	84295	3597
<I/σ(I)>	4.7	1.1
Completeness [%]	98.1	84.4
Redundancy	2.9	2.2
CC(1/2)	0.987	0.352

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M HEPES-K, pH 7.5, 0.2-0.4 M sodium acetate, 20% PEG 3350