8GII
TEM-1 Beta Lactamase Variant 80.a
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-12-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97932 |
Spacegroup name | P 1 |
Unit cell lengths | 50.919, 51.117, 56.890 |
Unit cell angles | 78.66, 84.90, 64.87 |
Refinement procedure
Resolution | 27.890 - 1.830 |
Rwork | 0.174 |
R-free | 0.20940 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.890 | 1.892 |
High resolution limit [Å] | 1.827 | 1.827 |
Rmerge | 0.085 | 0.442 |
Number of reflections | 43422 | 3405 |
<I/σ(I)> | 7.3 | 1.4 |
Completeness [%] | 90.0 | 75.38 |
Redundancy | 2.1 | |
CC(1/2) | 0.994 | 0.558 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 288 | 20% PEG3350, 0.1M MES, pH 6.5 |