5YLF

MCR-1 complex with D-glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	95
Detector technology	CCD
Collection date	2016-03-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	51.750, 72.820, 82.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.280 - 1.500
R-factor	0.1415
Rwork	0.140
R-free	0.17630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nt0
RMSD bond length	0.009
RMSD bond angle	0.882
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.280	1.554
High resolution limit [Å]	1.500	1.500
Rmerge	0.035	0.321
Number of reflections	49059	4806
<I/σ(I)>	11.07	1.83
Completeness [%]	97.0	99
Redundancy	1.9	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	10% (v/v) PEG 1000, 5% (v/v) PEG 8000