9TZ2

human formylglycine-generating enzyme FGE, with surface loop and active site Cu(I)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-03
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 2
Unit cell lengths	61.380, 109.438, 43.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.160 - 1.150
R-factor	0.1543
Rwork	0.153
R-free	0.17620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.113
Data reduction software	XDS (BUILT=20220220)
Phasing software	PHASER
Refinement software	PHENIX (2.0_5936)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.160	1.190
High resolution limit [Å]	1.150	1.150
Rmerge	0.196	2.930
Rmeas	0.208	3.110
Rpim	0.069	1.030
Number of reflections	102967	9913
<I/σ(I)>	8.26	0.58
Completeness [%]	98.5	95.1
Redundancy	8.6	8.6
CC(1/2)	0.998	0.214

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293.15	0.25 M Tris-HCl pH 9.0, 0.2 M CaCl2, 26 % PEG 4000, 2.5 % DMSO, 200 nl protein + 100 nl reservoir