9VSX

Peptide Asparaginyl Ligases from Viola dissecta

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-15
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979183
Spacegroup name	P 21 21 2
Unit cell lengths	115.305, 128.901, 70.963
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.480 - 1.870
R-factor	0.177
Rwork	0.175
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.987
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.940	1.960
High resolution limit [Å]	1.860	1.860
Rmerge	0.158
Rmeas	0.165
Rpim	0.047
Number of reflections	161734	54926
<I/σ(I)>	11.4
Completeness [%]	95.8
Redundancy	12.6
CC(1/2)	0.997	0.444

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.7	289.15	0.2 M Ammonium sulfate 0.1 M HEPES pH 7.7 27% w/v polyethylene glycol 3350