5SSY

Crystal Structure of human formylglycine generating enzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-19
Detector	PSI PILATUS 6M
Wavelength(s)	1.000000
Spacegroup name	P 2 21 21
Unit cell lengths	43.475, 61.731, 109.719
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.860 - 1.290
R-factor	0.2129
Rwork	0.212
R-free	0.23710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	inhouse model
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	54.860	54.860	1.230
High resolution limit [Å]	1.200	5.360	1.200
Rmerge	0.089	0.036	1.266
Rmeas	0.098	0.039	1.661
Total number of observations	458831
Number of reflections	87450	1195	4075
<I/σ(I)>	9.13	35.96	0.53
Completeness [%]	93.8	99.6	60
Redundancy	5.247	6.278	1.88
CC(1/2)	0.998	0.998	0.539

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	9.6 mg/mL protein in 20mM Tris/HCl pH8.0 mixed 1:1 with reservoir 0.1M Tris/HCl pH 8.5, 20-25% PEG4000, 0.2-0.3M CaCl2