5KXC
Wisteria floribunda lectin in complex with GalNAc(beta1-4)GlcNAc (LacdiNAc) at pH 8.5.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-12-11 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.745, 103.383, 148.922 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.800 |
| R-factor | 0.1981 |
| Rwork | 0.197 |
| R-free | 0.21920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5kxb |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.631 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.6.1) |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 4.120 | 1.800 |
| Rmerge | 0.095 | 0.039 | |
| Rmeas | 0.102 | 0.042 | |
| Rpim | 0.043 | 0.016 | 0.655 |
| Total number of observations | 832327 | ||
| Number of reflections | 114273 | ||
| <I/σ(I)> | 7.9 | ||
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 7.3 | 7.1 | 7.4 |
| CC(1/2) | 0.999 | 0.722 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291.15 | 0.1 M Tris-HCl pH 8.5 25% (v/v) PEG 550 MME |
