7ZLF
Mutant L39Y-L58F of recombinant bovine beta-lactoglobulin in complex with endogenous fatty acid
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 | 2018-10-18 |
Detector | AGILENT ATLAS CCD |
Wavelength(s) | 1.54056 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 53.245, 53.245, 111.210 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 15.210 - 2.100 |
Rwork | 0.191 |
R-free | 0.23740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bsy |
RMSD bond length | 0.010 |
RMSD bond angle | 1.629 |
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] | 15.210 | 2.160 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.113 | 1.046 |
Rmeas | 0.122 | 1.181 |
Number of reflections | 11150 | 898 |
<I/σ(I)> | 8.9 | 1.5 |
Completeness [%] | 99.6 | 99.7 |
Redundancy | 6.7 | |
CC(1/2) | 0.998 | 0.631 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 2.4 M in 0.5 M Tris-HCl, pH 8.5 |