5HJ1
Crystal structure of PDZ domain of pullulanase C protein of type II secretion system from Klebsiella pneumoniae in complex with fatty acid
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 | 2015-12-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 47.636, 47.636, 93.202 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.420 - 1.500 |
| R-factor | 0.1934 |
| Rwork | 0.192 |
| R-free | 0.22231 |
| Structure solution method | SAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.156 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.060 | 0.570 |
| Number of reflections | 17852 | |
| <I/σ(I)> | 87.8 | 6.9 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 27.7 | 28.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 4 M Formate |
