2R8S
High resolution structure of a specific synthetic FAB bound to P4-P6 RNA ribozyme domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-05-29 |
Detector | SBC-2 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 133.085, 53.230, 160.555 |
Unit cell angles | 90.00, 108.42, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.950 |
R-factor | 0.19632 |
Rwork | 0.195 |
R-free | 0.22607 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1TZI 1HR2 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.330 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.088 | 0.480 |
Number of reflections | 77127 | |
<I/σ(I)> | 16.7 | 1.6 |
Completeness [%] | 98.6 | |
Redundancy | 5.2 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.9 | 277 | 34% MPD, 0.1M sodium citrate, 0.2M ammonium acetate, 25 mM magnesium chloride, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
1 | VAPOR DIFFUSION, HANGING DROP | 5.9 | 277 | 34% MPD, 0.1M sodium citrate, 0.2M ammonium acetate, 25 mM magnesium chloride, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
1 | VAPOR DIFFUSION, HANGING DROP | 5.9 | 277 | 34% MPD, 0.1M sodium citrate, 0.2M ammonium acetate, 25 mM magnesium chloride, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
1 | VAPOR DIFFUSION, HANGING DROP | 5.9 | 277 | 34% MPD, 0.1M sodium citrate, 0.2M ammonium acetate, 25 mM magnesium chloride, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | MPD | ||
2 | 1 | 1 | sodium citrate | ||
3 | 1 | 1 | ammonium acetate | ||
4 | 1 | 1 | MgCl2 | ||
5 | 1 | 2 | MPD | ||
6 | 1 | 2 | sodium citrate | ||
7 | 1 | 2 | ammonium acetate | ||
8 | 1 | 2 | MgCl2 |