8QVO
L211Q, L254N, T262G mutant of carboxypeptidase T from Thermoactinomyces vulgaris
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | KURCHATOV SNC BEAMLINE K4.4 |
| Synchrotron site | KURCHATOV SNC |
| Beamline | K4.4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2023-10-02 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 0.752680 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 158.085, 158.085, 104.589 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.910 - 1.960 |
| R-factor | 0.14649 |
| Rwork | 0.146 |
| R-free | 0.16550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.774 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.110 | 0.360 |
| Rmeas | 0.115 | 0.376 |
| Number of reflections | 110357 | 15903 |
| <I/σ(I)> | 5.8757 | 2.05 |
| Completeness [%] | 100.0 | 99.99 |
| Redundancy | 12.09 | 9.41 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.4 SA |
