7Q19
Beta-lactoglobulin mutant FAW (I56F/L39A/M107W) in complex with desipramine (FAW-DSM#3)
This is a non-PDB format compatible entry.
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 | 2019-04-23 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.91840 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 66.298, 66.298, 60.630 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.690 - 1.550 |
| Rwork | 0.197 |
| R-free | 0.23370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bsy |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.629 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.690 | 1.640 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmeas | 0.051 | 1.022 |
| Number of reflections | 22796 | 3482 |
| <I/σ(I)> | 23.24 | 1.98 |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 10.3 | 9.11 |
| CC(1/2) | 1.000 | 0.087 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 2.40 M (NH4)2SO4, 0.5 M Tris-HCl pH 8.5, desipramine |
