5NXL

Formylglycine generating enzyme from T. curvata in complex with Ag(I)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-09
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	40.947, 65.572, 99.501
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.634 - 1.660
R-factor	0.1715
Rwork	0.170
R-free	0.19780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q17
RMSD bond length	0.006
RMSD bond angle	0.819
Data reduction software	XDS
Data scaling software	Aimless (0.5.28)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.950	40.950	1.690
High resolution limit [Å]	1.660	9.090	1.660
Rmerge	0.099	0.027	0.948
Rmeas	0.108	0.029	1.028
Rpim	0.042	0.012	0.392
Number of reflections	32476
<I/σ(I)>	14.6
Completeness [%]	100.0	99.5	99.9
Redundancy	6.5	5.5	6.7
CC(1/2)	0.999	0.999	0.678

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	MPD, sodium acetate and calcium chloride