7P6T
Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form III)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-05-08 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.96770 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 90.150, 33.660, 59.630 |
Unit cell angles | 90.00, 111.84, 90.00 |
Refinement procedure
Resolution | 28.970 - 1.400 |
R-factor | 0.1966 |
Rwork | 0.195 |
R-free | 0.22360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Refined model of crystal form II of the same protein (PDB D_1292117105) |
RMSD bond length | 0.003 |
RMSD bond angle | 0.675 |
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] | 28.970 | 1.474 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.104 | 3.379 |
Rmeas | 0.112 | 3.663 |
Rpim | 0.042 | 1.396 |
Number of reflections | 32721 | 4653 |
<I/σ(I)> | 8.6 | 0.6 |
Completeness [%] | 98.4 | 96.84 |
Redundancy | 6.9 | 6.7 |
CC(1/2) | 1.000 | 0.485 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 5% (w/v) PEG 20K, 25% (w/v) 1,1,1-tris(hydroxymethyl) propane, 0.1 M MOPSO/bis-tris pH 6.5, 1% (w/v) NDSB 195, 0.01 M spermine, 0.01 M spermidine, 0.01 M 1,4-diaminobutane, 0.01 M DL-ornithine, 20 mM Na-HEPES pH 7.5, 150 mM NaCl |