7HSV

PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z2643472210

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	99.086, 99.103, 128.387
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.940 - 2.489
R-factor	0.2728
Rwork	0.269
R-free	0.34220
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]	78.400	2.590
High resolution limit [Å]	2.490	2.490
Rmerge	0.519	4.855
Rmeas	0.539	5.047
Rpim	0.145	1.371
Total number of observations	305618	33019
Number of reflections	22484	2464
<I/σ(I)>	4.8	0.5
Completeness [%]	99.9
Redundancy	13.6	13.4
CC(1/2)	0.988	0.199

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