3DHS
Mapping metal-binding sites in the catalytic domain of bacterial RNase P RNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-07-02 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.1401 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 147.350, 160.010, 133.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.070 - 3.600 |
| Rwork | 0.290 |
| R-free | 0.31400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a64 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.800 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (9.6L) |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.070 | 3.730 |
| High resolution limit [Å] | 3.600 | 3.600 |
| Rmerge | 0.102 | 0.714 |
| Total number of observations | 24484 | |
| Number of reflections | 18374 | |
| <I/σ(I)> | 10.2 | 2.9 |
| Completeness [%] | 98.7 | 98.6 |
| Redundancy | 13.64 | 13.66 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 296 | 0.05 M cacodylate, 0.1 M potassium chloride, 0.02 M magnesium chloride, 0.001 M spermine tetrachloride, 23% 1,6-hexanediol, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 296K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | cacodylate | ||
| 2 | 1 | 2 | cacodylate | ||
| 3 | 1 | 1 | potassium chloride | ||
| 4 | 1 | 2 | potassium chloride | ||
| 5 | 1 | 1 | magnesium chloride | ||
| 6 | 1 | 2 | magnesium chloride | ||
| 7 | 1 | 1 | spermine tetrachloride | ||
| 8 | 1 | 1 | 1,6-hexanediol |
