5BK1

Crystal structure of maltose binding protein in complex with an endosteric synthetic antibody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979180
Spacegroup name	P 21 21 21
Unit cell lengths	76.830, 120.810, 193.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.806 - 2.150
R-factor	0.2078
Rwork	0.205
R-free	0.25310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1omp 3pgf
RMSD bond length	0.003
RMSD bond angle	0.592
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.806	19.806	2.200
High resolution limit [Å]	2.150	10.000	2.150
Rmerge	0.104	0.016	0.890
Rmeas	0.121	0.019	1.025
Number of reflections	97817	1096	6489
<I/σ(I)>	10.19	46.75	1.64
Completeness [%]	99.2	98	100
Redundancy	3.961	3.63	4.063
CC(1/2)	0.996	1.000	0.604

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	293	0.2 M NaCl, 0.1 M sodium/potassium phosphate: pH 6.4 and 24% PEG1000