6IFA
Structure of beta-trefoil lectin from Entamoeba histolytica
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-14 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.9660 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 101.732, 101.732, 183.996 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.000 - 1.900 |
R-factor | 0.1962 |
Rwork | 0.194 |
R-free | 0.23640 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.801 |
Data reduction software | XDS (2018-04-27) |
Data scaling software | XDS (2018-04-27) |
Phasing software | PHASER (2.7.0) |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.000 | 2.010 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 38368 | 6102 |
<I/σ(I)> | 13.88 | 1.75 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 13.23 | 12.43 |
CC(1/2) | 0.990 | 0.840 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | 20% iso-propanol, 0.1M MES monohydrate, pH 6.0, 20% PEG monomethyl ether 2000 |