8ZIF

Gamma-lyase CndF in complex with pyridoxal 5'-phosphate, L-homoserine and ethyl acetoacetate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	83.709, 100.650, 129.076
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.890 - 2.950
R-factor	0.2393
Rwork	0.238
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.200
Data reduction software	autoPX
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.030
High resolution limit [Å]	2.950	2.950
Rmerge	0.160	1.624
Rpim	0.047	0.461
Number of reflections	23658	1705
<I/σ(I)>	18.7	1.9
Completeness [%]	100.0	100
Redundancy	12.6	13.2
CC(1/2)	1.000	0.519

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	0.2M sodium sulfate, 0.1M Bis-Tris propane pH 6.5, 20% PEG 3350