7OMT

Crystal structure of ProMacrobody 21 with bound maltose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	80
Detector technology	PIXEL
Collection date	2019-09-30
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1
Spacegroup name	I 1 2 1
Unit cell lengths	51.897, 87.624, 118.635
Unit cell angles	90.00, 99.08, 90.00

Refinement procedure

Resolution	44.450 - 2.000
R-factor	0.1951
Rwork	0.193
R-free	0.23940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n3w 5fwo
RMSD bond length	0.010
RMSD bond angle	1.021
Data reduction software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.450	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.057	1.167
Number of reflections	34750	34750
<I/σ(I)>	15.1
Completeness [%]	98.1
Redundancy	7.1
CC(1/2)	0.999	0.722

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	in 0.2 M MgCl2, 0.1M Hepes pH 7.5, 30% PEG400