7OL8
Crystal structure of Lysozyme in complex with trifluoroethanol: orthorhombic form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976256 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 29.981, 54.867, 65.434 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.340 - 1.150 |
| R-factor | 0.1559 |
| Rwork | 0.154 |
| R-free | 0.18230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6f1o |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.340 | 19.340 | 1.170 |
| High resolution limit [Å] | 1.150 | 6.300 | 1.150 |
| Rmerge | 0.051 | 0.042 | 0.671 |
| Rmeas | 0.056 | 0.047 | 0.785 |
| Rpim | 0.023 | 0.019 | 0.397 |
| Total number of observations | 1460 | 6413 | |
| Number of reflections | 39025 | 284 | 1823 |
| <I/σ(I)> | 14.4 | 36.4 | 2 |
| Completeness [%] | 99.6 | 96.1 | 96.4 |
| Redundancy | 5.4 | 5.1 | 3.5 |
| CC(1/2) | 0.999 | 0.998 | 0.659 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 0.3M NaCl, 0.1M MES, 10mM NaH2PO4 plus 20% TFE in the reservoir |
