2R1S
Structure of the RNA brominated tridecamer r(GCGUU-5BUGAAACGC) at 1.4 A (Br1)
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 80 |
Detector technology | IMAGE PLATE |
Collection date | 2003-02-03 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.919487 |
Spacegroup name | P 1 |
Unit cell lengths | 25.380, 25.670, 29.920 |
Unit cell angles | 98.64, 105.43, 100.67 |
Refinement procedure
Resolution | 14.100 - 1.400 |
R-factor | 0.159 |
Rwork | 0.159 |
R-free | 0.18500 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.892 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 14.100 | 1.490 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.035 | 0.113 |
Number of reflections | 12174 | |
<I/σ(I)> | 19.4 | 8.8 |
Completeness [%] | 91.0 | 67.2 |
Redundancy | 3.3 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 298 | 30% MPD, 100mM NaCl, 50 mM Tris, 3mM MnCl2, 2mM MgCl2, 0.5 mM RNA, pH 7.0, VAPOR DIFFUSION, temperature 298K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | MPD | ||
10 | 1 | 2 | MgCl2 | ||
2 | 1 | 1 | NaCl | ||
3 | 1 | 1 | Tris | ||
4 | 1 | 1 | MnCl2 | ||
5 | 1 | 1 | MgCl2 | ||
6 | 1 | 2 | MPD | ||
7 | 1 | 2 | NaCl | ||
8 | 1 | 2 | Tris | ||
9 | 1 | 2 | MnCl2 |