7DWS
The structure of T4 Lysozyme I3C/C54T/R125C/E128C complex with Zinc ions
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NFPSS BEAMLINE BL19U1 |
| Synchrotron site | NFPSS |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2020-11-02 |
| Detector | MAR555 FLAT PANEL |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 102.861, 102.861, 244.533 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.860 - 2.800 |
| R-factor | 0.3316 |
| Rwork | 0.330 |
| R-free | 0.34500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sb5 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.823 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.865 | 19.860 | 2.950 |
| High resolution limit [Å] | 2.800 | 8.850 | 2.800 |
| Rmerge | 0.042 | 0.032 | 0.153 |
| Rmeas | 0.059 | 0.046 | 0.217 |
| Rpim | 0.042 | 0.032 | 0.153 |
| Total number of observations | 825 | 5044 | |
| Number of reflections | 16874 | 453 | 2615 |
| <I/σ(I)> | 11.1 | 23.1 | 3.7 |
| Completeness [%] | 92.0 | 72.8 | 96.4 |
| Redundancy | 1.9 | 1.8 | 1.9 |
| CC(1/2) | 0.997 | 0.995 | 0.938 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 289 | 0.01 mM CoCl2, 0.1 M MES, pH 6.2, 2.2 M Ammonium Sulfate |
