6HAQ

AFGH61B WILD-TYPE COPPER LOADED

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-27
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.350
Spacegroup name	P 1
Unit cell lengths	44.300, 49.110, 53.960
Unit cell angles	75.86, 88.38, 76.31

Refinement procedure

Resolution	27.650 - 1.370
R-factor	0.1074
Rwork	0.105
R-free	0.15550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6h1z
RMSD bond length	0.029
RMSD bond angle	1.992
Data reduction software	MOSFLM
Data scaling software	pointless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.080	1.390
High resolution limit [Å]	1.370	1.370
Number of reflections	82114
<I/σ(I)>	18.2
Completeness [%]	91.4	84.2
Redundancy	3.9	3.2
CC(1/2)	0.998	0.863

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Sample preincubated with 2 mM copper(II) acetate. Reservoir consisting of 20 mM MgCl2, 0.1 M HEPES pH 7.5, 22% polyacrylic acid 5100 sodium salt.