8EBI
XFEL structure of beta lactamase microcrystals mixed with sulbactam solution for 15ms
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SLAC LCLS BEAMLINE MFX |
| Synchrotron site | SLAC LCLS |
| Beamline | MFX |
| Temperature [K] | 300 |
| Detector technology | PIXEL |
| Collection date | 2020-10-11 |
| Detector | SLAC ePix10k 2M |
| Wavelength(s) | 1.26 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.300, 98.560, 112.050 |
| Unit cell angles | 90.00, 108.78, 90.00 |
Refinement procedure
| Resolution | 20.860 - 2.700 |
| R-factor | 0.2317 |
| Rwork | 0.229 |
| R-free | 0.28050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6b5x |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.618 |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Phasing software | PHASER |
| Refinement software | REFMAC (5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.860 | 2.750 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Number of reflections | 41529 | 4080 |
| <I/σ(I)> | 4.5 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 273 | 130 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 4.1 | 300 | 2.4 M Ammonium Phosphate |
