6QI6
Trigonal form of WT recombinant bovine beta-lactoglobulin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | Agilent SuperNova |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2017-01-10 |
Detector | AGILENT ATLAS CCD |
Wavelength(s) | 1.54 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 52.732, 52.732, 110.330 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 14.070 - 2.000 |
R-factor | 0.1917 |
Rwork | 0.186 |
R-free | 0.24560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5htd |
RMSD bond length | 0.010 |
RMSD bond angle | 1.628 |
Data reduction software | CrysalisPro |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 14.070 | 14.070 | 2.050 |
High resolution limit [Å] | 2.000 | 8.720 | 2.000 |
Rmerge | 0.049 | 0.024 | 0.405 |
Rmeas | 0.060 | 0.032 | 0.555 |
Rpim | 0.034 | 0.020 | 0.377 |
Total number of observations | 31832 | ||
Number of reflections | 12441 | 127 | 929 |
<I/σ(I)> | 9.5 | ||
Completeness [%] | 99.2 | 70.1 | 97.8 |
Redundancy | 2.6 | 2.1 | 1.9 |
CC(1/2) | 0.998 | 0.993 | 0.681 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 297 | 2.80 M (NH4)2SO4 in 0.1 M Tris-HCl pH 8.0 |