1JFZ
Crystal Structure of MN(II)-Complex of RNAse III Endonuclease Domain from Aquifex Aeolicus at 2.10 Angstrom Resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-03-21 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.741, 140.549, 49.759 |
| Unit cell angles | 90.00, 117.42, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.100 |
| R-factor | 0.191 * |
| Rwork | 0.195 |
| R-free | 0.27700 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 1I4S |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.018 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.059 | 0.185 |
| Total number of observations | 72740 * | |
| Number of reflections | 33591 | |
| <I/σ(I)> | 10.3132 | 2.985 |
| Completeness [%] | 92.9 | 74.7 |
| Redundancy | 2.165 | 2.023 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 18-20 * | PEG4000, TRIS-HCL, ACETATE, CHLORIDE, pH 8.50, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 13 (mg/ml) | |
| 2 | 1 | drop | 0.6 (M) | ||
| 3 | 1 | drop | Tris-HCl | 25 (mM) | pH7.5 |
| 4 | 1 | reservoir | PEG4000 | 30 (%(w/v)) | |
| 5 | 1 | reservoir | sodium acetate | 0.2 (M) | |
| 6 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH8.5 |
