5KED
Structure of the 2.65 Angstrom P2(1) crystal of K. pneumonia MrkH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-04-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.11 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.512, 207.826, 53.915 |
| Unit cell angles | 90.00, 120.17, 90.00 |
Refinement procedure
| Resolution | 45.482 - 2.650 |
| R-factor | 0.2341 |
| Rwork | 0.231 |
| R-free | 0.27600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5kgo |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.626 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 103.913 | 2.790 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.349 | |
| Number of reflections | 27150 | |
| <I/σ(I)> | 12.8 | 2.6 |
| Completeness [%] | 92.3 | 68.5 |
| Redundancy | 3.5 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 2 mM MgCl2, 2 mM CaCl2, 0.1 M sodium Hepes pH 7.5, 20% ethylene glycol and 10% PEG 8000. |
