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 |