7OV8
Crystal structure of pig purple acid phosphatase in complex with 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES) and glycerol
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 | 62.382, 69.772, 75.309 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.570 - 2.300 |
R-factor | 0.1665 |
Rwork | 0.162 |
R-free | 0.25560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ute |
RMSD bond length | 0.008 |
RMSD bond angle | 1.069 |
Data scaling software | pointless |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.000 | 2.480 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.163 | 0.369 |
Number of reflections | 15124 | 2896 |
<I/σ(I)> | 4.2 | 2 |
Completeness [%] | 99.3 | 94 |
Redundancy | 3.64 | 3.64 |
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 |