5V3D
Crystal structure of fosfomycin resistance protein from Klebsiella pneumoniae with bound fosfomycin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-07-17 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.071, 47.155, 149.517 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.292 - 1.539 |
R-factor | 0.1701 |
Rwork | 0.168 |
R-free | 0.20590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lqp |
RMSD bond length | 0.006 |
RMSD bond angle | 0.885 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.27) |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.293 | 29.290 | 1.580 |
High resolution limit [Å] | 1.539 | 6.880 | 1.540 |
Rmerge | 0.051 | 0.028 | 0.721 |
Rmeas | 0.058 | 0.032 | 0.819 |
Rpim | 0.026 | 0.015 | 0.378 |
Number of reflections | 41623 | ||
<I/σ(I)> | 14.7 | ||
Completeness [%] | 93.6 | 90.9 | 97.5 |
Redundancy | 4.4 | 4.2 | 4.2 |
CC(1/2) | 0.999 | 0.998 | 0.917 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1uL of FosAKP solution: 9mg/mL FosAKP in storage solution (75mM NaCl, 10mM Tris, pH 7.5), 6mM MnCl2, 6mM Fosfomycin. 1uL of mother liquor: 0.22 M KBr, 20% PEG2000 MME Crystals appear in 2-3 days |