8SK2
X-ray structure of the NDM-4 beta-lactamase from Klebsiella pneumonia, apo form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-01-18 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.927, 59.312, 41.815 |
| Unit cell angles | 90.00, 98.65, 90.00 |
Refinement procedure
| Resolution | 33.910 - 1.300 |
| R-factor | 0.17907 |
| Rwork | 0.178 |
| R-free | 0.19896 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.432 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.400 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Number of reflections | 46573 | 9062 |
| <I/σ(I)> | 16.1 | 3.1 |
| Completeness [%] | 98.3 | 96.4 |
| Redundancy | 5.2 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 18 - 26% (w/v) poly(ethylene glycol) 3350, 2% (v/v) dimethyl sulfoxide, and 100 mM MES (pH 6.0) |
