8USM

FmlH Lectin Domain UTI89 - AM4085

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2020-08-08
Detector	RDI CMOS_8M
Wavelength(s)	0.976
Spacegroup name	P 21 21 2
Unit cell lengths	51.245, 116.450, 50.955
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.470 - 1.630
Rwork	0.202
R-free	0.22660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.908
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.470	1.688
High resolution limit [Å]	1.630	1.630
Rmerge	0.059	0.369
Rmeas	0.063	0.398
Rpim	0.024	0.146
Number of reflections	38858	3807
<I/σ(I)>	22.76	4.89
Completeness [%]	99.6	100
Redundancy	7.1	7.3
CC(1/2)	0.999	0.951

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	0.7 M LiSO4 2% PEG 8000