6SYE
Crystal structure of orthorhombic lysozyme in presence of the dye bromophenol blue at pH 7.0
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 | 2018-03-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 30.206, 55.235, 71.576 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.600 - 0.970 |
| R-factor | 0.1744 |
| Rwork | 0.173 |
| R-free | 0.19830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6f1m |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.056 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.6.3) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.600 | 19.600 | 0.980 |
| High resolution limit [Å] | 0.970 | 5.290 | 0.970 |
| Rmerge | 0.030 | 0.022 | 0.916 |
| Rmeas | 0.033 | 0.024 | 1.039 |
| Rpim | 0.013 | 0.010 | 0.484 |
| Total number of observations | 2868 | 15591 | |
| Number of reflections | 137004 | 512 | 3500 |
| <I/σ(I)> | 23.7 | 72.2 | 1.6 |
| Completeness [%] | 99.8 | 97.4 | 98.3 |
| Redundancy | 6 | 5.6 | 4.5 |
| CC(1/2) | 1.000 | 0.999 | 0.618 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | Crystals grew in 0.1 M sodium acetate, 0.3 M sodium chloride at pH 4.6 in the presence of 0.1 M Lithium sulfate. After growth, and before measurement, these crystals were soaked in the dye solution: saturated bromophenol blue, 0.3 M sodium chloride, 100 mM Lithium sulfate, 100 mM phosphate buffer at pH 7.0 |
