7HRY

PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z1101755952

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	2023-09-12
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.92124
Spacegroup name	I 2 2 2
Unit cell lengths	99.611, 99.688, 129.152
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.350 - 2.229
R-factor	0.27
Rwork	0.268
R-free	0.31710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.910
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]	78.910	2.350
High resolution limit [Å]	2.230	2.230
Rmerge	0.439	6.427
Rmeas	0.456	6.682
Rpim	0.123	1.810
Total number of observations	428427	62533
Number of reflections	31744	4570
<I/σ(I)>	5.7	0.4
Completeness [%]	100.0
Redundancy	13.5	13.7
CC(1/2)	0.992	0.878

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