5DOO
The structure of PKMT2 from Rickettsia typhi
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 | 2012-07-09 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.719, 90.528, 106.201 |
| Unit cell angles | 90.00, 114.17, 90.00 |
Refinement procedure
| Resolution | 48.447 - 3.133 |
| R-factor | 0.2353 |
| Rwork | 0.233 |
| R-free | 0.28030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 5DO0 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.983 |
| Data scaling software | SCALEPACK |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.210 |
| High resolution limit [Å] | 3.100 | 6.670 | 3.100 |
| Rmerge | 0.050 | 0.769 | |
| Total number of observations | 183801 | ||
| <I/σ(I)> | 6.4 | ||
| Completeness [%] | 95.6 | 94.4 | 96 |
| Redundancy | 3.7 | 4 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294 | 0.19 M CaCl2, 0.095 M HEPES-NaOH, pH 7.5, 26.6 % polyethylene glycol 400, 5 % v/v glycerol |
