1RS2
DHNA complex with 8-Amino-1,3-dimethyl-3,7-dihydropurine-2,6-dione
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARRESEARCH |
Wavelength(s) | 1.54 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 60.947, 60.947, 123.689 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.150 - 2.310 |
Rwork | 0.265 |
R-free | 0.31100 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.007 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | CNX (2000) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.150 | 2.440 |
High resolution limit [Å] | 2.310 | 2.310 |
Number of reflections | 4595 | |
Completeness [%] | 84.3 | 70.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 289 | 0.2M Ammonium Acetate, 0.1M tri-sodium citrate pH 5.6, 30% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 289K |