7RGZ
Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(2-nitro-4-fluoro)-benzoyl-3-O-toluoyl-b-D-talopyranoside
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2016-03-09 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.258, 58.220, 62.723 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.127 - 1.485 |
Rwork | 0.180 |
R-free | 0.21510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nmo |
RMSD bond length | 0.012 |
RMSD bond angle | 1.738 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.670 | 1.510 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmerge | 0.059 | 0.389 |
Number of reflections | 19942 | 156 |
<I/σ(I)> | 14.8 | 1.2 |
Completeness [%] | 87.9 | |
Redundancy | 5.6 | 1.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 31% PEG 6000, 100mM MgCl2, 8mM beta mercaptoethanol, 100mM Tris-HCL, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |