1IKK
Intrinsic Bending and Deformability at the T-A step of CCTTTAAAGG: A Comparative Analysis of T-A and A-T steps within A-tracts
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 116 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-01-01 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.558, 38.737, 32.508 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.600 |
| R-factor | 0.1794 * |
| Rwork | 0.177 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NDB entry bdj036 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.320 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.720 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.084 | 0.268 |
| Total number of observations | 65685 * | |
| Number of reflections | 6263 | |
| <I/σ(I)> | 26.2 | 11.2 |
| Completeness [%] | 99.2 | 98 |
| Redundancy | 10.5 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 * | Spermine-HCL, Mg(OAc)2, MPD, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Spermine-HCl | ||
| 2 | 1 | 1 | Mg(OAc)2 | ||
| 3 | 1 | 1 | MPD | ||
| 4 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 0.86 (mM) | |
| 2 | 1 | drop | spermine hydrochloride | 0.35 (mM) | |
| 3 | 1 | drop | magnesium acetate | 5.00 (mM) | |
| 4 | 1 | drop | 12.5 (%(v/v)) | ||
| 5 | 1 | reservoir | MPD | 20 (%) |
