4LBO
Crystal structure of Human galectin-3 CRD in complex with a-GM3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | MACSCIENCE |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2008-06-22 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.992, 58.277, 63.810 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.030 - 1.650 |
| R-factor | 0.1724 |
| Rwork | 0.171 |
| R-free | 0.19320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a3k |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.250 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 43.032 | 43.032 | 1.740 |
| High resolution limit [Å] | 1.649 | 5.220 | 1.650 |
| Rmerge | 0.028 | 0.213 | |
| Total number of observations | 7794 | 2814 | |
| Number of reflections | 16331 | ||
| <I/σ(I)> | 21.6 | 15.7 | 3.4 |
| Completeness [%] | 94.6 | 99.8 | 68.3 |
| Redundancy | 6.7 | 12.3 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 31% PEG 6000, 100MM MGCL2, 8MM BETA MERCEPTOETHANOL, 100MM TRIS HCL, pH 7.0, vapor diffusion, hanging drop, temperature 293K |
