5SSX

Crystal Structure human formylglycine generating enzyme E130D mutant

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	2017-08-11
Detector	PSI PILATUS 6M
Wavelength(s)	0.999980
Spacegroup name	P 2 21 21
Unit cell lengths	43.494, 61.640, 109.579
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.950 - 1.020
R-factor	0.1238
Rwork	0.123
R-free	0.13750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1z70
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]	40.950	40.950	1.060
High resolution limit [Å]	1.020	4.610	1.020
Rmerge	0.052	0.030	0.842
Rmeas	0.057	0.033	1.087
Total number of observations	779553
Number of reflections	142078	1844	7890
<I/σ(I)>	14.49	42.4	0.89
Completeness [%]	97.3	99.4	73.8
Redundancy	5.487	6.048	1.871
CC(1/2)	0.999	0.999	0.526

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