5NYY

Formylglycine generating enzyme from T. curvata in complex with Cd(II)

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	2017-02-18
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	41.314, 67.648, 100.021
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.214 - 1.280
R-factor	0.1548
Rwork	0.154
R-free	0.16720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nxl
RMSD bond length	0.007
RMSD bond angle	0.905
Data reduction software	XDS
Data scaling software	Aimless (0.5.28)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.010	50.010	1.300
High resolution limit [Å]	1.280	7.010	1.280
Rmerge	0.065	0.024	0.746
Rmeas	0.067	0.025	0.778
Rpim	0.019	0.007	0.215
Total number of observations	919799
Number of reflections	71599
<I/σ(I)>	25
Completeness [%]	98.1	99.8	90.4
Redundancy	12.8	11.9	12.5
CC(1/2)	1.000	1.000	0.865

Crystallization Conditions

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