5DO0
The structure of PKMT1 from Rickettsia prowazekii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-05-01 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 98.498, 62.466, 107.853 |
Unit cell angles | 90.00, 100.78, 90.00 |
Refinement procedure
Resolution | 48.379 - 2.600 |
R-factor | 0.2151 |
Rwork | 0.214 |
R-free | 0.24310 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.856 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.690 |
High resolution limit [Å] | 2.600 | 5.600 | 2.600 |
Rmerge | 0.065 | 0.685 | |
Total number of observations | 148342 | ||
Number of reflections | 40220 | ||
<I/σ(I)> | 5.4 | ||
Completeness [%] | 99.5 | 98.8 | 96.9 |
Redundancy | 3.7 | 3.7 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 294 | 0.1 M HEPES-NaOH buffer at pH 7.5, 10 % v/v isopropanol, 20 % w/v polyethylene glycol 4000 |