7OL7
Crystal structure of Lysozyme in complex with trifluoroethanol: tetragonal 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 43 21 2 |
| Unit cell lengths | 78.547, 78.547, 37.332 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.050 - 1.150 |
| R-factor | 0.1551 |
| Rwork | 0.154 |
| R-free | 0.17390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6f1o |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.272 |
| 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] | 19.050 | 19.050 | 1.170 |
| High resolution limit [Å] | 1.150 | 6.300 | 1.150 |
| Rmerge | 0.040 | 0.035 | 0.842 |
| Rmeas | 0.043 | 0.038 | 0.916 |
| Rpim | 0.016 | 0.015 | 0.352 |
| Total number of observations | 1908 | 10198 | |
| Number of reflections | 39309 | 306 | 1601 |
| <I/σ(I)> | 17.2 | 49 | 2 |
| Completeness [%] | 93.5 | 96.7 | 77.2 |
| Redundancy | 6.8 | 6.2 | 6.4 |
| CC(1/2) | 0.999 | 0.998 | 0.673 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 298 | 0.4M NaCl, 0.1M Sodium Acetate plus 15% TFE in the reservoir |
