2P09
Structural Insights into the Evolution of a Non-Biological Protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-04-15 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.541 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 72.791, 72.791, 54.752 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.320 - 1.650 |
| R-factor | 0.177 |
| Rwork | 0.177 |
| R-free | 0.19500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.974 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.710 |
| High resolution limit [Å] | 1.650 | 3.550 | 1.650 |
| Rmerge | 0.056 | 0.035 | 0.586 |
| Number of reflections | 20360 | ||
| <I/σ(I)> | 17.4 | ||
| Completeness [%] | 99.1 | 99.7 | 96.9 |
| Redundancy | 5 | 5 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 298 | 250 mM sodium citrate, 100 mM sodium phosphate, 10 mM ATP, 300 mM sodium chloride, and 0.4-0.8% x/v polyethylene glycol 400, pH 8.5, VAPOR DIFFUSION, temperature 298K |
