7BGZ
Mutant L39K of recombinant beta-lactoglobulin in complex with endogenous ligand
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 | 2014-11-06 |
| Detector | AGILENT ATLAS CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 53.560, 53.560, 110.880 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 13.753 - 2.401 |
| R-factor | 0.20297 |
| Rwork | 0.194 |
| R-free | 0.26630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bsy |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.779 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 14.260 | 14.260 | 2.490 |
| High resolution limit [Å] | 2.400 | 8.980 | 2.400 |
| Rmerge | 0.057 | 0.015 | 0.653 |
| Rmeas | 0.067 | 0.020 | 0.830 |
| Rpim | 0.034 | 0.012 | 0.502 |
| Total number of observations | 26085 | 271 | 1866 |
| Number of reflections | 7446 | 123 | 754 |
| <I/σ(I)> | 12.9 | 35.7 | 1.4 |
| Completeness [%] | 98.1 | 71 | 97.6 |
| Redundancy | 3.5 | 2.2 | 2.5 |
| CC(1/2) | 0.998 | 1.000 | 0.714 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 3.0 M ammonium sulfate in 0.5 M Tris-HCl pH 8.5 |
