9FTB

Aeromonas caviae CMP-Pse5A7Ac Synthetase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-27
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.976
Spacegroup name	P 65 2 2
Unit cell lengths	109.527, 109.527, 87.063
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	64.223 - 1.900
Rwork	0.192
R-free	0.24060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	2.174
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.223	64.140	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.218	0.122	4.346
Rmeas	0.223	0.125	4.447
Rpim	0.048	0.027	0.943
Number of reflections	24845	291	1570
<I/σ(I)>	14.8
Completeness [%]	100.0
Redundancy	40	31.9	41.8
CC(1/2)	0.999	0.997	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	1% w/v Tryptone, 0.05 M HEPES sodium pH 6.5, 14% w/v PEG3350, 0.001 M sodium azide