8GIJ
TEM-1 Beta Lactamase Variant 80.b
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) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.952, 60.951, 121.884 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.570 - 1.590 |
Rwork | 0.166 |
R-free | 0.19230 |
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] | 29.570 | 1.649 |
High resolution limit [Å] | 1.590 | 1.592 |
Rmerge | 0.100 | 0.723 |
Number of reflections | 60547 | 5320 |
<I/σ(I)> | 17.9 | |
Completeness [%] | 95.8 | 88.77 |
Redundancy | 13.6 | |
CC(1/2) | 0.999 | 0.887 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 288 | 20% PEG3350, 0.1M MES, pH 6.5 |