2PZI
Crystal Structure of Protein kinase PknG from Mycobacterium tuberculosis in Complex with Tetrahydrobenzothiophene AX20017
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-02-27 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.008503 |
| Spacegroup name | P 65 |
| Unit cell lengths | 122.553, 122.553, 243.749 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 106.000 - 2.400 |
| R-factor | 0.18555 |
| Rwork | 0.183 |
| R-free | 0.23339 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.394 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 106.000 | 2.420 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 80540 | |
| Completeness [%] | 99.9 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 293 | 0.1M Sodium Citrate, 0.2M Sodium Chloride, 1M Ammonium phosphate, 0.01M Cadmium Chloride , pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
