6CN7
The structure of aerobactin synthetase IucC 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 | PIXEL |
Collection date | 2017-04-08 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 124.020, 197.690, 130.380 |
Unit cell angles | 90.00, 109.60, 90.00 |
Refinement procedure
Resolution | 58.067 - 2.450 |
R-factor | 0.2142 |
Rwork | 0.213 |
R-free | 0.24030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3x0q |
RMSD bond length | 0.003 |
RMSD bond angle | 0.544 |
Data reduction software | iMOSFLM |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.100 | 2.540 |
High resolution limit [Å] | 2.450 | 2.450 |
Number of reflections | 215668 | |
<I/σ(I)> | 10 | |
Completeness [%] | 99.6 | |
Redundancy | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | Cocktail: 10-11% PEG 20,000, 100 mM MES pH 6.0. Drop Ratio, 1:1. Protein, 5.5 mg/mL |