7HS7

PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z1230795916

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	99.160, 99.280, 129.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.520 - 2.190
R-factor	0.2661
Rwork	0.264
R-free	0.30800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.900
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]	47.530	2.250
High resolution limit [Å]	2.190	2.190
Rmerge	0.400	8.080
Rmeas	0.416	8.387
Rpim	0.112	2.237
Total number of observations	448326	33633
Number of reflections	33179	2419
<I/σ(I)>	5.7	0.4
Completeness [%]	100.0
Redundancy	13.5	13.9
CC(1/2)	0.994	0.342

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