7Z9Z
Mutant L39Y of recombinant bovine beta-lactoglobulin in complex with pramocaine
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | Agilent SuperNova |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-10-19 |
| Detector | AGILENT ATLAS CCD |
| Wavelength(s) | 1.54056 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 53.321, 53.321, 110.703 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 14.760 - 2.500 |
| Rwork | 0.204 |
| R-free | 0.27580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bsy |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.410 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 14.760 | 2.610 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.111 | 0.640 |
| Rmeas | 0.124 | 0.751 |
| Number of reflections | 6648 | 796 |
| <I/σ(I)> | 8.1 | 1.7 |
| Completeness [%] | 98.9 | |
| Redundancy | 4.7 | |
| CC(1/2) | 0.995 | 0.723 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 2.4 M ammonium sulfate in 0.5 M Tris-HCl, pH 8.5 |
