8VCM

Crystal structure of rMcL-1 in complex with galactose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	101
Detector technology	PIXEL
Collection date	2019-09-27
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	57.217, 41.094, 67.938
Unit cell angles	90.00, 107.70, 90.00

Refinement procedure

Resolution	34.690 - 2.210
R-factor	0.1848
Rwork	0.184
R-free	0.20360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.154
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.21rc1_5156)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.119
Number of reflections	27697	2235
<I/σ(I)>	27.2
Completeness [%]	99.5
Redundancy	5
CC(1/2)	0.861	0.861

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291.15	0.2 M Na iodine, 0.1 M Bis-tris pronane pH 8.5, 20% PEG 3350