5DNK
The structure of PKMT1 from Rickettsia prowazekii in complex with AdoHcy
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-03-01 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 98.016, 62.127, 107.392 |
| Unit cell angles | 90.00, 100.88, 90.00 |
Refinement procedure
| Resolution | 19.998 - 1.900 |
| R-factor | 0.2034 |
| Rwork | 0.202 |
| R-free | 0.24930 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.037 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.10_2142)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.520 | 1.900 |
| Rmerge | 0.065 | 0.720 | |
| Total number of observations | 429501 | ||
| Number of reflections | 134251 | ||
| <I/σ(I)> | 5.2 | 1.5 | |
| Completeness [%] | 99.4 | 99.5 | 97.3 |
| Redundancy | 3.3 | 3.5 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294 | 0.1 M Tris, pH 8.5, 20 % w/v polyethylene glycol 1000 |
