2QBZ
Structure of the M-Box Riboswitch Aptamer Domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-17 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9786 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 48.655, 101.081, 285.765 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.670 - 2.600 |
R-factor | 0.204 |
Rwork | 0.202 |
R-free | 0.24600 |
Structure solution method | SIRAS |
RMSD bond length | 0.010 |
RMSD bond angle | 1.730 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | REFMAC (refmac_5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.107 | 0.405 |
Number of reflections | 22584 | |
<I/σ(I)> | 6.8 | 3 |
Completeness [%] | 99.3 | 98.7 |
Redundancy | 4.4 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | HEPES, MPD, Spermine, KCl, MgCl2 over 35 % MPD, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | HEPES, MPD, Spermine, KCl, MgCl2 over 35 % MPD, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | HEPES, MPD, Spermine, KCl, MgCl2 over 35 % MPD, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | HEPES | ||
10 | 2 | 1 | Spermine | ||
11 | 2 | 1 | CsCl | ||
12 | 2 | 1 | MgCl2 | ||
2 | 1 | 1 | MPD | ||
3 | 1 | 2 | MPD | ||
4 | 1 | 1 | Spermine | ||
5 | 1 | 1 | KCl | ||
6 | 1 | 1 | MgCl2 | ||
7 | 2 | 1 | HEPES | ||
8 | 2 | 1 | MPD | ||
9 | 2 | 2 | MPD |