334D
DEFINING GC-SPECIFICITY IN THE MINOR GROOVE: SIDE-BY-SIDE BINDING OF THE DI-IMIDAZOLE LEXITROPSIN TO C-A-T-G-G-C-C-A-T-G
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 278 |
| Detector technology | IMAGE PLATE |
| Collection date | 1993-09-15 |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.654, 42.643, 34.684 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.800 |
| R-factor | 0.2 |
| Rwork | 0.200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AN IDEAL HELIX RMS FIT TO BDJ057 |
| RMSD bond length | 0.050 |
| RMSD bond angle | 0.069 |
| Data reduction software | MSC |
| Data scaling software | MSC |
| Phasing software | X-PLOR |
| Refinement software | NUCLSQ |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.037 | |
| Number of reflections | 4895 | |
| Completeness [%] | 93.0 | 91.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 * | 4 * | pH 7.40, VAPOR DIFFUSION, SITTING DROP, temperature 277.00K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | WATER | ||
| 2 | 1 | 1 | MPD | ||
| 3 | 1 | 1 | CACL2 | ||
| 4 | 1 | 1 | SPERMINE_HCL | ||
| 5 | 1 | 2 | WATER | ||
| 6 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | duplex DNA | 0.45 (mM) | |
| 2 | 1 | drop | DIM | 0.90 (mM) | |
| 3 | 1 | drop | 12 (mM) | ||
| 4 | 1 | drop | spermine hydrochloride | 7 (mM) | |
| 5 | 1 | drop | MPD | 15 (%(v/v)) | |
| 6 | 1 | reservoir | 45 (%) |
