5JM7
The structure of aerobactin synthetase IucA from a hypervirulent pathotype of Klebsiella pneumoniae
Experimental procedure
Experimental method | MAD |
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 | 2014-04-13 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.96802 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 106.790, 106.790, 264.720 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 52.340 - 2.400 |
R-factor | 0.2151 |
Rwork | 0.213 |
R-free | 0.25480 |
Structure solution method | MAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.069 |
Data reduction software | iMOSFLM |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.340 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.093 | 0.726 |
Number of reflections | 35840 | |
<I/σ(I)> | 14.26 | 2.77 |
Completeness [%] | 100.0 | 100 |
Redundancy | 9.6 | 9.7 |
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 287 | Cocktail: 500-750 mM ammonium sulfate, 100-250 mM potassium-sodium tartrate, 100 mM sodium citrate pH 5.6 Drop Ratio: 1:1 Protein: 5.5 mg/mL |