7HRX

PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z100449516

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	99.281, 99.304, 129.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.030 - 1.690
R-factor	0.2544
Rwork	0.253
R-free	0.27370
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]	78.920	1.720
High resolution limit [Å]	1.690	1.690
Rmerge	0.206	4.485
Rmeas	0.214	4.660
Rpim	0.057	1.250
Total number of observations	988135	50730
Number of reflections	71977	3657
<I/σ(I)>	8.1	0.4
Completeness [%]	100.0
Redundancy	13.7	13.9
CC(1/2)	0.998	0.357

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