8ECF
Cryo structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 3 hours
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-04-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.26 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 79.442, 96.666, 111.028 |
Unit cell angles | 90.00, 108.08, 90.00 |
Refinement procedure
Resolution | 48.330 - 2.736 |
Rwork | 0.211 |
R-free | 0.26820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6b5x |
RMSD bond length | 0.005 |
RMSD bond angle | 1.191 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.330 | 2.640 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.180 | 0.180 |
Number of reflections | 25400 | 43 |
<I/σ(I)> | 0.372 | |
Completeness [%] | 100.0 | |
Redundancy | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.1 | 300 | 2.1 M Ammonium Phosphate |