5JM8
The structure of ATP-bound aerobactin synthetase IucA from a hypervirulent pathotype of Klebsiella pneumoniae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2015-06-29 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.03320 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 170.850, 96.630, 173.230 |
Unit cell angles | 90.00, 90.02, 90.00 |
Refinement procedure
Resolution | 49.568 - 2.200 |
R-factor | 0.2165 |
Rwork | 0.214 |
R-free | 0.24900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.019 |
Data reduction software | iMOSFLM |
Phasing software | PHASER |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.570 | 2.279 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.119 | 0.456 |
Number of reflections | 283617 | |
<I/σ(I)> | 7.62 | 3.15 |
Completeness [%] | 99.2 | 98.5 |
Redundancy | 4 | 4 |
CC(1/2) | 0.995 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 287 | Cocktail: 15-32% PEG400, 100 mM MES pH 6.0 Drop Ratio: 1:1 Protein: 5.5 mg/mL |