7S31
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 | 78.426, 78.426, 37.111 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 13.560 - 1.600 |
R-factor | 0.206 |
Rwork | 0.204 |
R-free | 0.23650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6qwy |
RMSD bond length | 0.009 |
RMSD bond angle | 1.601 |
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] | 13.560 | 13.560 | 1.630 |
High resolution limit [Å] | 1.600 | 8.760 | 1.600 |
Rmerge | 0.079 | 0.022 | 1.075 |
Total number of observations | 69039 | 421 | 2077 |
Number of reflections | 15516 | 90 | 724 |
<I/σ(I)> | 11.1 | 41 | 1 |
Completeness [%] | 98.3 | 73.6 | 96 |
Redundancy | 4.4 | 4.7 | 2.9 |
CC(1/2) | 0.937 | 1.000 | 0.544 |
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 |