9PQS
Crystal structure of the scFv-1E8b in complex with the synthetic glycoamino acid Pse-Ser
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-12-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 67.928, 67.928, 225.890 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.360 - 2.060 |
| R-factor | 0.1948 |
| Rwork | 0.193 |
| R-free | 0.22870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.853 |
| Data reduction software | XDS (v1.0) |
| Data scaling software | Aimless (v1.0) |
| Phasing software | PHASER (v1.0) |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.360 | 2.120 |
| High resolution limit [Å] | 2.060 | 2.060 |
| Rmerge | 0.138 | 1.450 |
| Rmeas | 0.140 | 1.470 |
| Rpim | 0.023 | 0.233 |
| Total number of observations | 764202 | 55301 |
| Number of reflections | 19983 | 1452 |
| <I/σ(I)> | 18.7 | 2.3 |
| Completeness [%] | 99.7 | |
| Redundancy | 38.2 | 38.1 |
| CC(1/2) | 0.999 | 0.891 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293.15 | 2 M ammonium sulfate, 0.1 M Bis-Tris, pH 5.5 |
