4J2S
Macrolepiota procera ricin B-like lectin (MPL) in complex with Di-LacNAc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-10 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.067 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 33.737, 56.458, 61.279 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.210 - 1.400 |
| R-factor | 0.1478 |
| Rwork | 0.146 |
| R-free | 0.17460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ion |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.523 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 3.790 | 1.400 |
| Rmerge | 0.061 | 0.030 | 0.473 |
| Number of reflections | 22820 | ||
| <I/σ(I)> | 7.8 | ||
| Completeness [%] | 95.6 | 99.9 | 76.8 |
| Redundancy | 10.5 | 10 | 8.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1 M Imidazole pH 8.0, 1.2 M Sodium citrate, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
