6J33
Crystal structure of ligand-free of PulA from Klebsiella pneumoniae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-07-22 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 |
| Unit cell lengths | 60.357, 80.276, 127.741 |
| Unit cell angles | 96.70, 102.30, 112.10 |
Refinement procedure
| Resolution | 39.264 - 1.297 |
| R-factor | 0.1291 |
| Rwork | 0.128 |
| R-free | 0.15370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fhf |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.965 |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.340 |
| High resolution limit [Å] | 1.297 | 1.300 |
| Rmerge | 0.052 | 0.334 |
| Rmeas | 0.058 | 0.413 |
| Rpim | 0.026 | 0.240 |
| Number of reflections | 495665 | 46251 |
| <I/σ(I)> | 20.1 | 3.5 |
| Completeness [%] | 94.4 | 88 |
| Redundancy | 3.8 | 2.7 |
| CC(1/2) | 0.999 | 0.849 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2M Magnesium acetate, 0.2M Sodium Acetate buffer (pH 6.0), 20%(w/v) PEG 6000 |
