5BJZ

Crystal structure of maltose binding protein in complex with an allosteric 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	2014-10-10
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.980
Spacegroup name	P 1 21 1
Unit cell lengths	98.390, 87.590, 114.650
Unit cell angles	90.00, 114.29, 90.00

Refinement procedure

Resolution	19.957 - 1.950
R-factor	0.1959
Rwork	0.194
R-free	0.22910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pgf
RMSD bond length	0.006
RMSD bond angle	0.769
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.957	19.957	2.000
High resolution limit [Å]	1.950	10.000	1.950
Rmerge	0.076	0.033	0.896
Rmeas	0.091	0.039	1.066
Number of reflections	126257	1011	9254
<I/σ(I)>	9.85	34.07	1.75
Completeness [%]	97.5	98.2	98.2
Redundancy	3.316	3.575	3.414
CC(1/2)	0.997	0.996	0.642

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	283	0.1 M HEPES: pH 7.0 and 15% PEG4000