6RWP
Engineered beta-lactoglobulin: variant L58F in complex with myristic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | Agilent SuperNova |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2014-11-14 |
Detector | AGILENT ATLAS CCD |
Wavelength(s) | 1.54 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 53.078, 53.078, 111.556 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 14.780 - 2.100 |
R-factor | 0.19961 |
Rwork | 0.194 |
R-free | 0.24464 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bsy |
RMSD bond length | 0.008 |
RMSD bond angle | 1.547 |
Data reduction software | CrysalisPro |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 15.180 | 15.180 | 2.170 |
High resolution limit [Å] | 2.100 | 8.400 | 2.100 |
Rmerge | 0.059 | 0.019 | 0.355 |
Rmeas | 0.072 | 0.024 | 0.473 |
Rpim | 0.040 | 0.013 | 0.310 |
Total number of observations | 31724 | 393 | 2087 |
Number of reflections | 11062 | 156 | 979 |
<I/σ(I)> | 10.6 | 30.2 | 2 |
Completeness [%] | 99.3 | 73.1 | 98.9 |
Redundancy | 2.9 | 2.5 | 2.1 |
CC(1/2) | 0.997 | 0.999 | 0.761 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 2.80 M (NH4)2SO4 in 0.1 M Tris-HCl pH 8.0, 5 mM myristic acid |