1I4S
CRYSTAL STRUCTURE OF RNASE III ENDONUCLEASE DOMAIN FROM AQUIFEX AEOLICUS AT 2.15 ANGSTROM RESOLUTION
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-06-03 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.98789, 1.01000, 1.03473, 1.04008 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.157, 51.188, 123.468 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.150 |
| R-factor | 0.2075 |
| Rwork | 0.212 |
| R-free | 0.27500 |
| Structure solution method | MIR |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.018 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.038 | 0.370 |
| Number of reflections | 16542 | |
| <I/σ(I)> | 23.376 | 3.258 |
| Completeness [%] | 99.5 | 99.9 |
| Redundancy | 4.161 | 4.025 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 292 | PEG4000, TRIS-HCL, ACETATE, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
