2YOY

Bacillus amyloliquefaciens CBM33 in complex with Cu(I) reduced using ascorbate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-09-16
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	66.380, 77.191, 73.917
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.640 - 1.700
R-factor	0.21085
Rwork	0.209
R-free	0.24836
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.015
RMSD bond angle	1.542
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.600	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.140	0.820
Number of reflections	42480
<I/σ(I)>	8.2	2.6
Completeness [%]	99.9	99.9
Redundancy	6.2	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4		0.1M MMT BUFFER PH 4.0, 25% PEG-1500