1IAW
CRYSTAL STRUCTURE OF NAEI COMPLEXED WITH 17MER DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-08-03 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.600, 65.000, 258.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 99.000 - 2.400 |
| Rwork | 0.243 |
| R-free | 0.29300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Unligated NaeI |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.350 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.098 | 0.271 |
| Number of reflections | 120725 | |
| <I/σ(I)> | 8.2 | 2.8 |
| Completeness [%] | 80.4 | 36.1 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 5.6 | 296 | 20% PEG3350, 0.1 M Na citrate, 0.2 M ammonium chloride, 10% MPD, pH 5.6, EVAPORATION, temperature 296K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG3350 | ||
| 2 | 1 | 1 | sodium citrate | ||
| 3 | 1 | 1 | ammonium chloride | ||
| 4 | 1 | 1 | MPD |
