8H8I

Triterpenoid saponin acetyltransferase, AmAT7-3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	H 3 2
Unit cell lengths	135.630, 135.630, 192.180
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.469 - 2.030
R-factor	0.211
Rwork	0.209
R-free	0.24520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kec
RMSD bond length	0.008
RMSD bond angle	0.926
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.370	2.080
High resolution limit [Å]	2.030	2.030
Rmerge	0.134	0.046
Number of reflections	43854	3190
<I/σ(I)>	14
Completeness [%]	99.6	99
Redundancy	19.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.19	289.15	1.6 M magnesium sulfate, 100 Mm MES/sodium hydroxide pH 6.5