31DC

Human formylglycine-generating enzyme FGE-C336S variant crystallized without elastase treatment, with peptide CTPSR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-25
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92
Spacegroup name	P 21 21 2
Unit cell lengths	61.746, 109.466, 43.438
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.440 - 2.300
R-factor	0.2518
Rwork	0.250
R-free	0.28780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.724
Data reduction software	XDS (BUILT=20220220)
Data scaling software	XSCALE (BUILT=20251103)
Phasing software	PHASER
Refinement software	PHENIX (2.0_5936)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.440	2.360
High resolution limit [Å]	2.300	2.300
Rmeas	0.413	2.781
Number of reflections	13669	987
<I/σ(I)>	4.71	0.86
Completeness [%]	99.9	99.9
Redundancy	12.4	13.17
CC(1/2)	0.992	0.549

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293.15	reservoir: 0.1 M Tris-HCl pH 9.0, 0.2 M CaCl2, 26% PEG 4000, 2.5% DMSO; 200 nl protein + 100 nl reservoir