1K47
Crystal Structure of the Streptococcus pneumoniae Phosphomevalonate Kinase (PMK)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-02-28 |
| Detector | BRANDEIS - B4 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 63 |
| Unit cell lengths | 231.606, 231.606, 88.587 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.420 |
| R-factor | 0.215 * |
| Rwork | 0.215 |
| R-free | 0.25700 |
| Structure solution method | Single anomalous scattering |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.320 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SnB |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.082 | 0.409 |
| Total number of observations | 3616027 * | |
| Number of reflections | 103387 * | |
| <I/σ(I)> | 24.1 | 2.5 |
| Completeness [%] | 98.3 | 92.4 * |
| Redundancy | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 * | 20 * | sodium dihydrogen phosphate, potassium dihydrogen phosphate, HEPES, ATP, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 24 (mg/ml) | |
| 2 | 1 | drop | HEPES | 20 (mM) | pH7.0 |
| 3 | 1 | drop | 100 (mM) | ||
| 4 | 1 | drop | dithiothreitol | 3 (mM) | |
| 5 | 1 | reservoir | HEPES | 0.1 (M) | pH7.5 |
| 6 | 1 | reservoir | sodium phosphate | 0.8 (M) | |
| 7 | 1 | reservoir | potassium phosphate | 0.8 (M) | |
| 8 | 1 | reservoir | ATP | 30 (mM) | unbuffered |
