5BK2

Crystal structure of maltose binding protein in complex with a peristeric synthetic antibody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-12
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979100
Spacegroup name	C 1 2 1
Unit cell lengths	217.170, 42.380, 200.660
Unit cell angles	90.00, 90.07, 90.00

Refinement procedure

Resolution	19.938 - 2.600
R-factor	0.2144
Rwork	0.212
R-free	0.25880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pgf
RMSD bond length	0.003
RMSD bond angle	0.543
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.938	20.000	2.700
High resolution limit [Å]	2.600	19.938	2.600
Rmerge	0.200	0.050	1.380
Rmeas	0.218	0.055	1.490
Number of reflections	57286	145	6082
<I/σ(I)>	8.41	22.32	1.74
Completeness [%]	99.5	89	100
Redundancy	6.514	4.8	6.956
CC(1/2)	0.991	0.997	0.631

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M KSCN and 18% PEG 3350