3I5L
Allosteric Modulation of DNA by Small Molecules
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 |
| Unit cell lengths | 22.500, 25.140, 29.090 |
| Unit cell angles | 66.53, 79.28, 79.57 |
Refinement procedure
| Resolution | 26.470 - 1.180 |
| R-factor | 0.103 |
| Rwork | 0.099 |
| R-free | 0.13764 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.565 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.472 | 1.205 |
| High resolution limit [Å] | 1.175 | 1.175 |
| Rmerge | 0.124 | 0.154 |
| Number of reflections | 19011 | |
| <I/σ(I)> | 12.5 | 8.9 |
| Completeness [%] | 90.16 | |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277.15 | 21% 2-methyl-2,4-pentanediol (MPD), 35 mM calcium acetate, 10 mM Tris pH 7.5 equilibrated in sitting drops against a reservoir of 35% MPD at 4 C. , VAPOR DIFFUSION, SITTING DROP, temperature 277.15K |
