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 |