7HSW

PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z26823525

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	2023-10-09
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.92124
Spacegroup name	I 2 2 2
Unit cell lengths	98.334, 98.368, 129.226
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.830 - 2.411
R-factor	0.2774
Rwork	0.276
R-free	0.30900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.840
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]	78.290	2.500
High resolution limit [Å]	2.410	2.410
Rmerge	0.302	3.937
Rmeas	0.314	4.105
Rpim	0.085	1.152
Total number of observations	329703	31758
Number of reflections	24556	2529
<I/σ(I)>	6.4	0.6
Completeness [%]	99.9
Redundancy	13.4	12.6
CC(1/2)	0.995	0.290

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