7ZA0
Mutant L58F 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 | 2017-02-28 |
Detector | AGILENT ATLAS CCD |
Wavelength(s) | 1.54056 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 53.722, 53.722, 112.254 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 13.840 - 2.100 |
Rwork | 0.175 |
R-free | 0.22420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bsy |
RMSD bond length | 0.010 |
RMSD bond angle | 1.664 |
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] | 13.840 | 2.160 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.042 | 0.350 |
Rmeas | 0.052 | 0.491 |
Number of reflections | 11346 | 933 |
<I/σ(I)> | 9.6 | 1.8 |
Completeness [%] | 99.0 | 98.6 |
Redundancy | 2.6 | 1.8 |
CC(1/2) | 0.999 | 0.780 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 2.2 M ammonium sulfate in 0.5 M Tris-HCl pH 8.5 |