7ZHC

Moss spermine/spermidine acetyl transferase (PpSSAT) in complex with AcetylCoA and polyethylen glycol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.99187
Spacegroup name	P 1 21 1
Unit cell lengths	48.108, 97.773, 48.453
Unit cell angles	90.00, 117.40, 90.00

Refinement procedure

Resolution	48.890 - 1.819
R-factor	0.2015
Rwork	0.199
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bei
RMSD bond length	0.008
RMSD bond angle	0.940
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.3 (18-SEP-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.890	2.050
High resolution limit [Å]	1.819	1.819
Rmerge	0.102	1.138
Number of reflections	23866	1194
<I/σ(I)>	9.3
Completeness [%]	92.1
Redundancy	6.4
CC(1/2)	0.998	0.497

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	10% PEG 8000, 10% PEG 1000