7HTD

PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z405825414

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	2023-10-10
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.92124
Spacegroup name	I 2 2 2
Unit cell lengths	99.150, 99.160, 128.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.160 - 2.620
R-factor	0.2656
Rwork	0.263
R-free	0.31310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.810
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]	78.490	2.690
High resolution limit [Å]	2.620	2.620
Rmerge	0.393	6.419
Rmeas	0.409	6.659
Rpim	0.110	1.761
Total number of observations	261972	19982
Number of reflections	19401	1414
<I/σ(I)>	5.8	0.4
Completeness [%]	100.0
Redundancy	13.5	14.1
CC(1/2)	0.994	0.207

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