7Q2P
Beta-lactoglobulin mutant FAW (I56F/L39A/M107W) in complex with desipramine (FAW-DSM#2)
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 | I 21 21 21 |
| Unit cell lengths | 55.814, 70.517, 178.797 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.519 - 1.690 |
| Rwork | 0.189 |
| R-free | 0.23550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bsy |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.684 |
| 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] | 45.519 | 1.790 |
| High resolution limit [Å] | 1.688 | 1.690 |
| Rmeas | 0.072 | 1.680 |
| Number of reflections | 39985 | 6354 |
| <I/σ(I)> | 19.43 | |
| Completeness [%] | 99.6 | |
| Redundancy | 12.94 | |
| CC(1/2) | 1.000 | 0.857 |
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 |
