6SYD
Crystal structure of the lysozyme in presence of bromophenol blue at pH 5.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-05 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 78.498, 78.498, 37.341 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.040 - 1.100 |
| R-factor | 0.2079 |
| Rwork | 0.207 |
| R-free | 0.23240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6f1r |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.705 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.040 | 19.040 | 1.120 |
| High resolution limit [Å] | 1.100 | 6.030 | 1.100 |
| Rmerge | 0.037 | 0.026 | 0.893 |
| Rmeas | 0.040 | 0.028 | 0.966 |
| Rpim | 0.015 | 0.010 | 0.361 |
| Total number of observations | 2093 | 16028 | |
| Number of reflections | 89752 | 331 | 2334 |
| <I/σ(I)> | 18.1 | 53.9 | 1.7 |
| Completeness [%] | 99.7 | 94.1 | 100 |
| Redundancy | 6.7 | 6.3 | 6.9 |
| CC(1/2) | 1.000 | 0.999 | 0.769 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 0.1 M sodium acetate, 0.3-0.5 sodium chloride at pH 4.6. After growth, and before measurement, these crystals were soaked in the dye solution: saturated bromophenol blue, 0.3 M sodium chloride, 0.1 M sodium acetate buffer at pH 5.5. |
