3DGN
A non-biological ATP binding protein crystallized in the presence of 100 mM ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 143 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-02-21 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 72.383, 72.383, 54.777 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.700 - 2.700 |
| R-factor | 0.2 |
| Rwork | 0.197 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.033 |
| RMSD bond angle | 2.955 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0066) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 5.800 | 2.700 |
| Rmerge | 0.283 | 0.112 | |
| Number of reflections | 4736 | ||
| <I/σ(I)> | 5 | ||
| Completeness [%] | 99.1 | 96 | 99.8 |
| Redundancy | 6.5 | 6.4 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | sitting drop vapor diffusion | 8.5 | 298 | 0.1 M sodium phosphate, 0.25 M sodium citrate, 0.3 M sodium chloride, 23% polyethylene glycol 400, 0.2 M ammonium acetate, pH 8.5, sitting drop vapor diffusion, temperature 298K |
