6RYT
Engineered beta-lactoglobulin: variant M107L
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-30 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.976225 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 56.160, 61.520, 78.240 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.410 - 2.100 |
| R-factor | 0.2204 |
| Rwork | 0.214 |
| R-free | 0.27830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bsy |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.598 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 78.240 | 78.240 | 2.160 |
| High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
| Rmerge | 0.100 | 0.053 | 0.471 |
| Rmeas | 0.118 | 0.065 | 0.563 |
| Rpim | 0.060 | 0.036 | 0.299 |
| Total number of observations | 49058 | 655 | 4064 |
| Number of reflections | 15140 | 221 | 1251 |
| <I/σ(I)> | 4.7 | 8.2 | 2 |
| Completeness [%] | 93.1 | 84.3 | 95.6 |
| Redundancy | 3.2 | 3 | 3.2 |
| CC(1/2) | 0.989 | 0.975 | 0.846 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 2.60 M (NH4)2SO4 in 0.1 Tris-HCl pH 7.9 |
