6IBI

Copper binding protein from Laetisaria arvalis (LaX325)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.299
Spacegroup name	P 21 21 21
Unit cell lengths	84.599, 84.635, 127.319
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.350 - 2.080
R-factor	0.2454
Rwork	0.244
R-free	0.27087
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.383
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.130
High resolution limit [Å]	2.080	2.080
Rmeas	0.152	1.398
Number of reflections	57268	4005
<I/σ(I)>	12.93	1.07
Completeness [%]	99.6	98.5
Redundancy	14	14.3
CC(1/2)	0.998	0.744

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	MRC plates with 1:1 ratio drops (enzyme:reservoir solution) and 100 ul reservoir using an Oryx-8 robot. Protein: 13.3 mg/ml in 20 mM MES pH 6.0. Reservoir: 20 mM L-Na-Glutamate, 20 mM DL-Alanine (racemic), 20 mM Glycine, 20 mM DL-Lysine HCl (racemic), 20 mM DL-Serine (racemic), 50 mM MES monohydrate pH 6.5, 50 mM imidazole pH 6.5. 20% (w/v) PEG 500 MME and 10% (w/v) PEG 20000.