2P7E
Vanadate at the Active Site of a Small Ribozyme Suggests a Role for Water in Transition-State Stabilization
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-04-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.98789 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 94.100, 94.100, 132.400 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.930 - 2.050 |
| R-factor | 0.2591 |
| Rwork | 0.258 |
| R-free | 0.27100 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1ZFR |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.600 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.670 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Number of reflections | 21610 | |
| <I/σ(I)> | 14.9 | 3.5 |
| Completeness [%] | 96.3 | 85.8 |
| Redundancy | 5.45 | 4.86 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 250 mM Li2SO4, 2.5 mM [Co(NH3)6]Cl3, 2 mM spermidine-HCl, 4.5 mM ammonium metavanadate, 100 mM sodium cacodylate buffer and 20% PEG 2000 MME, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Li2SO4 | ||
| 2 | 1 | 1 | [Co(NH3)6]Cl3 | ||
| 3 | 1 | 1 | spermidine-HCl | ||
| 4 | 1 | 1 | ammonium metavanadate | ||
| 5 | 1 | 1 | sodium cacodylate | ||
| 6 | 1 | 1 | PEG 2000 MME | ||
| 7 | 1 | 2 | Li2SO4 | ||
| 8 | 1 | 2 | spermidine-HCl | ||
| 9 | 1 | 2 | PEG 2000 MME |
