6MUJ

Formylglycine generating enzyme bound to copper

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 12.3.1
Synchrotron site	ALS
Beamline	12.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-10
Detector	ADSC QUANTUM 315
Wavelength(s)	1.115834
Spacegroup name	P 31 2 1
Unit cell lengths	140.008, 140.008, 217.508
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.738 - 2.249
R-factor	0.2031
Rwork	0.202
R-free	0.24570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q17
RMSD bond length	0.008
RMSD bond angle	0.932
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.738	2.330
High resolution limit [Å]	2.249	2.249
Number of reflections		11546
<I/σ(I)>	12.72	0.65
Completeness [%]	94.0	83.18
Redundancy	10.8	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	296	Crystals were grown by hanging-drop vapor diffusion at 23C for one week using a 2uL:2uL mixture of protein solution (8 mg/ml in 50 mM Tris 7.5, 0.5 M NaCl, 10% glycerol, 1 mM DTT) and precipitant buffer (100 mM Tris 8.0, 3.2 M ammonium formate, 0.3% octyl-beta-glucoside (w/v), 3.2% 2-butanol (v/v)) in Easy-Xtal trays. Crystals were soaked in 1mM DTT (in precipitant buffer) for 15 minutes, then soaked in CuCl2 (in precipitant buffer) for 30 minutes, and finally, backsoaked and cryoprotected in 20% glycerol (in precipitant buffer).