4S05
Crystal structure of Klebsiella pneumoniae PmrA in complex with PmrA box DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-07 |
| Detector | BRUKER SMART 6500 |
| Wavelength(s) | 0.90000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 162.640, 162.640, 131.707 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.828 - 3.800 |
| R-factor | 0.1833 |
| Rwork | 0.178 |
| R-free | 0.22850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.037 |
| RMSD bond angle | 1.443 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.940 |
| High resolution limit [Å] | 3.800 | 3.800 |
| Rmerge | 0.066 | 0.560 |
| Number of reflections | 19931 | |
| <I/σ(I)> | 16.259 | 2.28 |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 3.2 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.8 | 295 | 0.1 M CAPS, pH 9.8, 0.8 M Sodium acetate, 12% (w/v) polyethylene glycol 1000, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
