5SSZ

Crystal Structure of wild-type human formylglycine generating enzyme bound to Cu(I)

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	2017-07-26
Detector	PSI PILATUS 6M
Wavelength(s)	0.999760
Spacegroup name	P 2 21 21
Unit cell lengths	43.513, 62.024, 110.021
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.010 - 1.020
R-factor	0.1313
Rwork	0.131
R-free	0.14170
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]	55.010	55.010	1.030
High resolution limit [Å]	1.000	4.480	1.000
Rmerge	0.037	0.026	0.331
Rmeas	0.040	0.028	0.438
Total number of observations	842259
Number of reflections	143525	2013	3230
<I/σ(I)>	21.76	51.69	1.47
Completeness [%]	89.4	99.7	27.5
Redundancy	5.868	6.792	1.654
CC(1/2)	0.999	0.999	0.787

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