7S33
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 | 78.853, 78.853, 37.044 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 13.620 - 1.600 |
R-factor | 0.1818 |
Rwork | 0.181 |
R-free | 0.19590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6qwy |
RMSD bond length | 0.012 |
RMSD bond angle | 1.745 |
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] | 13.620 | 13.620 | 1.630 |
High resolution limit [Å] | 1.600 | 8.620 | 1.600 |
Rmerge | 0.065 | 0.029 | 0.536 |
Total number of observations | 72511 | 457 | 2236 |
Number of reflections | 15719 | 98 | 772 |
<I/σ(I)> | 15.1 | 44.3 | 2.4 |
Completeness [%] | 98.5 | 74.4 | 96.9 |
Redundancy | 4.6 | 4.7 | 2.9 |
CC(1/2) | 0.998 | 0.999 | 0.576 |
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 |