9T27

Human fumarylacetoacetate hydrolase (FAH) in complex with S1.1

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 1 21 1
Unit cell lengths	66.930, 104.991, 75.931
Unit cell angles	90.00, 98.04, 90.00

Refinement procedure

Resolution	61.000 - 1.789
Rwork	0.182
R-free	0.20780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.515
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.105))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.128	1.820
High resolution limit [Å]	1.789	1.789
Number of reflections	96907	4813
<I/σ(I)>	13.158
Completeness [%]	99.0
Redundancy	6.85
CC(1/2)	0.998	0.571

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M Bis-Tris pH 5.5 and 7.0 at 25% to PEG 3350.