3ZKQ

BACE2 XAPERONE COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-10-05
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	64.112, 74.811, 109.248
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.470 - 1.510
R-factor	0.19133
Rwork	0.190
R-free	0.22276
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 3ZKG 2xa3
RMSD bond length	0.011
RMSD bond angle	1.460
Data reduction software	XDS
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	REFMAC (5.7.0027)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.500	1.610
High resolution limit [Å]	1.510	1.510
Rmerge	0.070	0.700
Number of reflections	83053
<I/σ(I)>	10.9	1.4
Completeness [%]	99.8	99.6
Redundancy	6.6	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				25% PEG1500