6T9B
Crystal structrue of RSL W31A lectin mutant in complex with alpha-methylfucoside
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-05-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 |
| Unit cell lengths | 43.914, 44.048, 103.461 |
| Unit cell angles | 90.04, 91.00, 119.67 |
Refinement procedure
| Resolution | 38.150 - 1.460 |
| R-factor | 0.1856 |
| Rwork | 0.184 |
| R-free | 0.21110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bt9 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.232 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.270 | 1.540 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rmerge | 0.034 | 0.183 |
| Rmeas | 0.048 | 0.023 |
| Rpim | 0.034 | 0.016 |
| Total number of observations | 197944 | |
| Number of reflections | 112322 | 15776 |
| <I/σ(I)> | 10.9 | |
| Completeness [%] | 95.6 | 92.3 |
| Redundancy | 1.8 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 293 | 26% PEG6K, 0.1M glycine, 0.1 M Tris/HCl pH 8.2 |
