7P6S

Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form II)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976254
Spacegroup name	P 21 21 21
Unit cell lengths	33.480, 59.500, 87.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.120 - 1.350
R-factor	0.1957
Rwork	0.194
R-free	0.22440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Partially refined model of crystal form I of the same protein (PDB D_1292117104)
RMSD bond length	0.004
RMSD bond angle	0.722
Data reduction software	XDS (Feb 5, 2021 BUILT=20210322)
Data scaling software	XSCALE (Feb 5, 2021 BUILT=20210322)
Phasing software	PHASER (2.8.3)
Refinement software	ISOLDE (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.120	1.390
High resolution limit [Å]	1.350	1.350
Rmerge	0.153	2.318
Rmeas	0.167	2.612
Rpim	0.067	1.180
Number of reflections	38991	2960
<I/σ(I)>	7	0.7
Completeness [%]	99.7	98.2
Redundancy	6	4.7
CC(1/2)	1.000	0.400

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	20% (v/v) 1,5-pentanediol, 10% (w/v) PEG 8K, 0.1 M GlyGly/AMPD pH 8.5, 0.5 mM YCl3, 0.5 mM ErCl3, 0.5 mM TbCl3, 0.5 mM YbCl3, 20 mM Na-HEPES pH 7.5, 150 mM NaCl