1PGZ
Crystal Structure of UP1 Complexed With d(TTAGGGTTAG(6-MI)G); A Human Telomeric Repeat Containing 6-methyl-8-(2-deoxy-beta-ribofuranosyl)isoxanthopteridine (6-MI)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 103 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-02-09 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 51.622, 51.622, 171.472 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.800 - 2.600 |
| R-factor | 0.237 |
| Rwork | 0.235 |
| R-free | 0.27000 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2up1 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.500 |
| Data reduction software | CrystalClear ((MSC/RIGAKU)) |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.093 | 0.325 |
| Number of reflections | 13747 | |
| <I/σ(I)> | 15.2 | 4.4 |
| Completeness [%] | 94.9 | 96.1 |
| Redundancy | 5.4 * | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8.5 * | 10 * | ammonium phosphate, glycerol, Tris, sodium chloride, MES, EDTA, beta-mercaptoethanol, pH 8.1, VAPOR DIFFUSION, HANGING DROP, temperature 283.0K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | (NH4)3PO4 | ||
| 10 | 1 | 2 | NaCl | ||
| 11 | 1 | 2 | EDTA | ||
| 2 | 1 | 1 | glycerol | ||
| 3 | 1 | 1 | Tris HCl | ||
| 4 | 1 | 1 | NaCl | ||
| 5 | 1 | 1 | MES | ||
| 6 | 1 | 1 | EDTA | ||
| 7 | 1 | 1 | beta-mercaptoethanol | ||
| 8 | 1 | 2 | (NH4)3PO4 | ||
| 9 | 1 | 2 | glycerol |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | Tris | 100 (mM) | pH8.5 |
| 2 | 1 | reservoir | 15 (%(v/v)) | ||
| 3 | 1 | reservoir | dibasic ammonium phosphate | 1.8-2.2 (M) |
