1WQY
X-RAY structural analysis of B-DNA decamer D(CCATTAATGG)2 crystal grown in D2O solution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-06-25 |
| Wavelength(s) | 0.71 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 32.900, 32.900, 96.100 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.237 |
| Rwork | 0.237 |
| R-free | 0.28400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 167d |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.025 | 0.108 |
| Number of reflections | 8451 | |
| Completeness [%] | 99.1 | 97.9 |
| Redundancy | 9.27 | 5.25 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH (D2O) | 7 | 279 | 30% MPD, 0.1M MAGNESIUM CHLORIDE, 0.1M SODIUM CACODYLATE, 0.002M DNA, pD 6.6, pH 7.0, BATCH (D2O), temperature 279K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 2 | 1 | 1 | MgCl | ||
| 3 | 1 | 1 | SODIUM CACODYLATE | ||
| 4 | 1 | 1 | D2O | ||
| 5 | 1 | 2 | MPD | ||
| 6 | 1 | 2 | MgCl | ||
| 7 | 1 | 2 | D2O |
