6C3U
Crystal structure of Klebsiella pneumoniae fosfomycin resistance protein (FosAKP) with inhibitor (ANY2) bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-02-18 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.765, 68.837, 90.312 |
| Unit cell angles | 90.00, 90.46, 90.00 |
Refinement procedure
| Resolution | 37.527 - 1.850 |
| R-factor | 0.1859 |
| Rwork | 0.184 |
| R-free | 0.21180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5v3d |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.638 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.530 | 1.916 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 45290 | 4448 |
| <I/σ(I)> | 9.01 | 1.76 |
| Completeness [%] | 95.0 | 97 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | Mother liquor: 20% PEG 3350 0.1M Bis Tris pH 5.5 0.2M NH4SO4 Protein at 11.5 mg/mL was combined with ANY2 at a final concentration of 2.5mM, and MnCl2 at 0.6mM. Sample was centrifuged and supernatant 1uL of supernatant was combined with 1uL of mother liquor. Crystals were improved by streak seeding |
