7B7E
Room temperature X-ray structure of perdeuterated PLL lectin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2018-10-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.980 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 72.630, 89.280, 159.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.910 - 1.600 |
| R-factor | 0.1506 |
| Rwork | 0.150 |
| R-free | 0.17020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5c9o |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.832 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.000 | 1.640 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.040 | 1.100 |
| Number of reflections | 68418 | 5004 |
| <I/σ(I)> | 25.3 | |
| Completeness [%] | 99.9 | |
| Redundancy | 5.6 | |
| CC(1/2) | 1.000 | 0.700 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 sodium acetate, pD 4.2, 6% (w/v) PEG 4000 dissolved in D2O |
