7HTZ

PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z69092635

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	2023-10-11
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.92124
Spacegroup name	I 2 2 2
Unit cell lengths	98.513, 98.584, 129.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.270 - 2.070
R-factor	0.26
Rwork	0.258
R-free	0.29720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.950
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]	78.320	2.130
High resolution limit [Å]	2.070	2.070
Rmerge	0.320	4.553
Rmeas	0.332	4.723
Rpim	0.090	1.248
Total number of observations	526414	41755
Number of reflections	38609	2945
<I/σ(I)>	5.3	0.4
Completeness [%]	100.0
Redundancy	13.6	14.2
CC(1/2)	0.995	0.270

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