6QPD
Engineered beta-lactoglobulin: variant I56F
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | Agilent SuperNova |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2015-02-25 |
| Detector | AGILENT ATLAS CCD |
| Wavelength(s) | 1.5406 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 53.272, 53.272, 113.051 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 13.810 - 2.000 |
| R-factor | 0.2136 |
| Rwork | 0.207 |
| R-free | 0.26870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bsy |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.362 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless (0.7.2) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 13.810 | 13.810 | 2.050 |
| High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
| Rmerge | 0.088 | 0.042 | 0.446 |
| Rmeas | 0.110 | 0.053 | 0.606 |
| Rpim | 0.065 | 0.032 | 0.407 |
| Total number of observations | 233 | 1824 | |
| Number of reflections | 12897 | 117 | 933 |
| <I/σ(I)> | 7.4 | 30.4 | 1.7 |
| Completeness [%] | 98.5 | 68.4 | 96.4 |
| Redundancy | 2.5 | 2 | 2 |
| CC(1/2) | 0.993 | 0.995 | 0.596 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 2.60 M (NH4)2SO4 in 0.1 M Tris-HCl pH 8.0 |
