7Q18
Beta-lactoglobulin mutant FAF (I56F/L39A/M107F), unliganded form
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-04-17 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.905, 64.298, 55.497 |
| Unit cell angles | 90.00, 112.89, 90.00 |
Refinement procedure
| Resolution | 27.733 - 1.804 |
| Rwork | 0.199 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bsy |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.662 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmeas | 0.059 | 0.833 |
| Number of reflections | 27108 | 1363 |
| <I/σ(I)> | 35.1 | 2 |
| Completeness [%] | 99.0 | 98.5 |
| Redundancy | 3.7 | 3.7 |
| CC(1/2) | 0.992 | 0.884 |
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 |
