3ZK4
Structure of purple acid phosphatase PPD1 isolated from yellow lupin (Lupinus luteus) seeds
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-06-01 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 223.925, 223.925, 111.904 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.620 - 1.650 |
R-factor | 0.15085 |
Rwork | 0.150 |
R-free | 0.17459 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.014 |
RMSD bond angle | 1.680 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.710 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.090 | 0.700 |
Number of reflections | 332100 | |
<I/σ(I)> | 20 | 2 |
Completeness [%] | 98.6 | 99.8 |
Redundancy | 6.7 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 0.12 M ALCOHOLS, 0.1 M BUFFER SYSTEM (1M MES AND 1M IMIDAZOLE) AT PH 6.5, AND 30% PRECIPITANT (COMPRISING 40% GLYCEROL AND 20% PEG4000) |