7RJJ
Crystal Structure of the Peptidoglycan Binding Domain of the Outer Membrane Protein (OmpA) from Klebsiella pneumoniae with bound D-alanine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-02-03 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 61 |
Unit cell lengths | 41.887, 41.887, 267.934 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.160 - 1.880 |
R-factor | 0.2022 |
Rwork | 0.201 |
R-free | 0.22840 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.442 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.910 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.073 | 1.358 |
Rmeas | 0.076 | |
Rpim | 0.023 | 0.439 |
Number of reflections | 21507 | 1084 |
<I/σ(I)> | 31.5 | 1.8 |
Completeness [%] | 99.9 | 100 |
Redundancy | 11.4 | 10.5 |
CC(1/2) | 0.988 | 0.626 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 292 | Protein: 9.4 mg/ml, 0.15M Sodium chloride, 0.01M Tris pH 8.3; Screen: PEG's II (C4), 0.2M Magnesium chloride, 0.1M MES pH 6.5, 10% (w/v) PEG4000; Cryo: 0.2M Magnesium chloride, 0.1M MES pH 6.5, 25% (w/v) PEG4000 |