3DGO
A non-biological ATP binding protein with a Tyr-Phe mutation in the ligand binding domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 143 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-05-07 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 71.742, 71.742, 55.488 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.490 - 2.500 |
| R-factor | 0.186 |
| Rwork | 0.184 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.298 |
| 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 | 2.590 |
| High resolution limit [Å] | 2.500 | 5.370 | 2.500 |
| Rmerge | 0.084 | 0.040 | 0.625 |
| Number of reflections | 5940 | ||
| <I/σ(I)> | 18.9 | ||
| Completeness [%] | 99.7 | 98.4 | 100 |
| Redundancy | 5.6 | 5.6 | 5.2 |
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 |
