9FTC

Aeromonas caviae CMP-Pse5Ac7Ac synthetase in the presence of CMP-Pse5Ac7Ac.

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-14
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	42.574, 79.007, 74.039
Unit cell angles	90.00, 92.46, 90.00

Refinement procedure

Resolution	42.571 - 1.500
Rwork	0.167
R-free	0.18540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.729
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]	54.000	54.000	1.530
High resolution limit [Å]	1.500	8.220	1.500
Rmerge	0.039	0.031	0.106
Rmeas	0.054	0.044	0.146
Rpim	0.037	0.031	0.100
Number of reflections	78069	500	3867
<I/σ(I)>	15
Completeness [%]	99.7
Redundancy	3.5	3.3	3.5
CC(1/2)	0.997	0.986	0.975

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291.15	0.2 M Sodium Nitrate; 0.1 M Bis-Tris Propane pH 6.5; 24% PEG 3350