1MRU
Intracellular Ser/Thr protein kinase domain of Mycobacterium tuberculosis PknB.
Experimental procedure
| Experimental method | MAD |
| 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 | 2002-06-22 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.1000, 0.9798 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.100, 50.170, 111.070 |
| Unit cell angles | 90.00, 96.19, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 3.000 |
| R-factor | 0.232 |
| Rwork | 0.232 |
| R-free | 0.29590 * |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.660 * |
| Data reduction software | ELVES |
| Data scaling software | ELVES |
| Phasing software | ELVES |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 110.000 * | 3.100 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.043 * | 0.171 * |
| Number of reflections | 13890 | |
| Completeness [%] | 97.4 * | 99 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 4 * | PEG 4000, sodium acetate, Tris-HCl, spermine, magnesium chloride, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 10 | 1 | reservoir | sodium acetate | 0.2 (M) | |
| 2 | 1 | drop | PEG4000 | 12.5 (%(w/v)) | |
| 3 | 1 | drop | Tris-HCl | 0.1 (M(w/v)) | pH8.0 |
| 4 | 1 | drop | sodium acetate | 0.2 (M) | |
| 5 | 1 | drop | spermine | 10 (mM) | |
| 6 | 1 | drop | 3 (mM) | ||
| 7 | 1 | drop | ATP gammaS | 3 (mM) | |
| 8 | 1 | reservoir | PEG4000 | 12.5 (%(w/v)) | |
| 9 | 1 | reservoir | Tris-HCl | 0.1 (M(w/v)) | pH8.0 |
