2ATL
Unmodified Insertion Ternary Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-06-06 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54180 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.584, 101.758, 112.286 |
| Unit cell angles | 90.00, 94.72, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.800 |
| R-factor | 0.22705 |
| Rwork | 0.224 |
| R-free | 0.27851 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2asd |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.362 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.870 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.125 | 0.549 |
| Number of reflections | 28078 | |
| Completeness [%] | 95.2 | 86.9 |
| Redundancy | 3.2 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | PEG 4000, HEPES-sodium, calcium acetate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 4000 | ||
| 2 | 1 | 1 | HEPES-sodium | ||
| 3 | 1 | 1 | calcium acetate | ||
| 4 | 1 | 1 | H2O | ||
| 5 | 1 | 2 | PEG 4000 | ||
| 6 | 1 | 2 | HEPES-sodium | ||
| 7 | 1 | 2 | calcium acetate | ||
| 8 | 1 | 2 | H2O |
