7HSX

PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z274575916

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-09
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.92124
Spacegroup name	I 2 2 2
Unit cell lengths	98.843, 98.906, 128.557
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.480 - 1.639
R-factor	0.2552
Rwork	0.254
R-free	0.27340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.950
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.4 (23-JAN-2024))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.390	1.670
High resolution limit [Å]	1.640	1.640
Rmerge	0.153	3.294
Rmeas	0.159	3.442
Rpim	0.043	0.995
Total number of observations	1038423	44290
Number of reflections	77233	3729
<I/σ(I)>	9.3	0.3
Completeness [%]	99.9
Redundancy	13.4	11.9
CC(1/2)	0.999	0.315

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.85	293	0.1M MES pH 6.85, 1.6M Ammonium sulfate