6VJ7
Crystal structure of red kidney bean purple acid phosphatase in complex with adenosine 5'-(beta,gamma imido)triphosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-12-10 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 125.704, 125.704, 298.151 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.760 - 2.600 |
| R-factor | 0.216 |
| Rwork | 0.213 |
| R-free | 0.27400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dhl |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.850 |
| Data reduction software | d*TREK |
| Data scaling software | pointless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.760 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.119 | 0.316 |
| Number of reflections | 63465 | 1835 |
| <I/σ(I)> | 4.3 | 1.7 |
| Completeness [%] | 74.9 | 50.7 |
| Redundancy | 1.62 | 1.36 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 2.3 M ammonium sulfate, 0.1 M sodium acetate, pH 4.0 |
