8ARU

Crystal Structure of human formylglycine generating enzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-01-19
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.92
Spacegroup name	P 2 21 21
Unit cell lengths	43.497, 61.562, 109.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.880 - 1.080
R-factor	0.142
Rwork	0.140
R-free	0.17360
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]	43.500	40.880	1.140
High resolution limit [Å]	1.080	4.960	1.110
Rmerge	0.093	0.021	1.221
Rmeas	0.107	0.023	1.537
Number of reflections	114914	1428	7396
<I/σ(I)>	10.12	46.6	0.69
Completeness [%]	98.5	95.6	86.9
Redundancy	4.089	4.125	2.203
CC(1/2)	0.998	0.999	0.332

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	7-8 mg/mL protein in 20mM Tris/HCl pH8.0 mixed 1:1 with reservoir 0.1M Tris/HCl pH 8-9, 20-25% PEG4000, 0.25M CaCl2