7OV3
Crystal structure of pig purple acid phosphatase in complex with Maybridge fragment CC063346, dimethyl sulfoxide and citrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-11-11 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.085, 71.325, 77.553 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.070 - 2.000 |
| R-factor | 0.1683 |
| Rwork | 0.165 |
| R-free | 0.23160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ute |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.024 |
| Data reduction software | CrystalClear |
| Data scaling software | pointless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.610 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.120 | 0.344 |
| Rmeas | 0.131 | 0.442 |
| Number of reflections | 21574 | 1450 |
| <I/σ(I)> | 7.8 | 1.9 |
| Completeness [%] | 87.5 | 46 |
| Redundancy | 5.81 | 2.32 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291.15 | 25% (W/V) PEG3350, 0.1 M LICL, 5% (V/V)ISOPROPANOL, 0.1 M SODIUM CITRATE PH 5.0, PROTEIN CONCENTRATION 38 MG/ML |
