7JTR

Complex of maltose-binding protein (MBP) with single-chain Fv (scFv)

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	PIXEL
Collection date	2017-03-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	95.200, 91.700, 174.630
Unit cell angles	90.00, 91.44, 90.00

Refinement procedure

Resolution	19.995 - 2.500
R-factor	0.2012
Rwork	0.201
R-free	0.23720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1anf 2gki
RMSD bond length	0.010
RMSD bond angle	1.505
Data reduction software	XDS (20161205)
Data scaling software	XSCALE (20161205)
Phasing software	PHASER (v2.7.16)
Refinement software	PHENIX (v1.11.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.995	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.084	0.943
Rmeas	0.091	1.010
Rpim	0.032	0.354
Number of reflections	102294	9974
<I/σ(I)>	14.85	2.2
Completeness [%]	98.0	96.2
Redundancy	7.7	8
CC(1/2)	0.999	0.888

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	277	0.2 M ammonium sulfate, 20% v/v PEG 4000