7DC0
Crystal structure of glycan-free Pseudomonas taiwanensis lectin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-08-03 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.129, 44.151, 134.818 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.810 - 1.880 |
| R-factor | 0.1806 |
| Rwork | 0.179 |
| R-free | 0.21680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s5v |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.17.1-3660) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.980 |
| High resolution limit [Å] | 1.880 | 5.950 | 1.880 |
| Rmerge | 0.161 | 0.051 | 0.555 |
| Rmeas | 0.186 | 0.063 | 0.058 |
| Rpim | 0.076 | 0.027 | 0.025 |
| Total number of observations | 127644 | 4358 | 19308 |
| Number of reflections | 22280 | 818 | 3203 |
| <I/σ(I)> | 8.9 | 14.3 | 4.3 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 5.7 | 5.3 | 6 |
| CC(1/2) | 0.989 | 0.997 | 0.885 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | Ammonium sulfate, Mes |
