7HU1

PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z729024430

This is a non-PDB format compatible entry.

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	2023-10-10
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.92124
Spacegroup name	I 2 2 2
Unit cell lengths	98.988, 98.994, 128.226
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.830 - 1.718
R-factor	0.24
Rwork	0.239
R-free	0.26280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.970
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]	78.360	1.750
High resolution limit [Å]	1.720	1.720
Rmerge	0.277	4.272
Rmeas	0.288	4.432
Rpim	0.077	1.175
Total number of observations	921635	47328
Number of reflections	67166	3371
<I/σ(I)>	6.2	0.4
Completeness [%]	99.7
Redundancy	13.7	14
CC(1/2)	0.997	0.332

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