7S2U
Crystal structure of hen egg white lysozyme
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
Temperature [K] | 125 |
Detector technology | CCD |
Collection date | 2020-12-12 |
Detector | OXFORD TITAN CCD |
Wavelength(s) | 1.54056 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 77.813, 77.813, 37.123 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 13.760 - 1.600 |
R-factor | 0.1874 |
Rwork | 0.186 |
R-free | 0.20790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6qwy |
RMSD bond length | 0.011 |
RMSD bond angle | 1.738 |
Data reduction software | HKL-2000 |
Data scaling software | Aimless (0.7.4) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 13.760 | 13.760 | 1.630 |
High resolution limit [Å] | 1.600 | 8.760 | 1.600 |
Rmerge | 0.048 | 0.026 | 0.341 |
Total number of observations | 67205 | 401 | 2034 |
Number of reflections | 15503 | 89 | 736 |
<I/σ(I)> | 15.5 | 37.7 | 2.5 |
Completeness [%] | 99.5 | 73.9 | 97.6 |
Redundancy | 4.3 | 4.5 | 2.8 |
CC(1/2) | 0.999 | 0.999 | 0.843 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 4.6 | 295 | 1.2 M NaCl, 100 mM Sodium Acetate, 50 mg/mL Lyzozyme, 30% Glycerol for cryoprotection |