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 |