3DGM
2.4 A Structure of a Non-biological ATP binding protein with ADP bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 143 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-10-23 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 73.220, 73.220, 54.786 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.440 - 2.400 |
| R-factor | 0.172 |
| Rwork | 0.171 |
| R-free | 0.19900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.884 |
| 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] | 30.000 | 30.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 5.160 | 2.400 |
| Rmerge | 0.164 | 0.068 | 0.669 |
| Number of reflections | 6905 | ||
| <I/σ(I)> | 7.9 | ||
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 9.5 | 9.1 | 9.5 |
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 |
