5UQ6
PIG PURPLE ACID PHOSPHATASE COMPLEXED WITH PHOSPHATE IN TWO COORDINATION MODES ALONG WITH A BRIDGING HYDROXIDE ION
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-03-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.124, 69.981, 75.052 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.603 - 1.182 |
R-factor | 0.1417 |
Rwork | 0.141 |
R-free | 0.15550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ute |
RMSD bond length | 0.007 |
RMSD bond angle | 0.980 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 30.603 |
High resolution limit [Å] | 1.180 |
Rmerge | 0.068 |
Rpim | 0.037 |
Number of reflections | 98587 |
<I/σ(I)> | 11.2 |
Completeness [%] | 91.3 |
Redundancy | 3.957 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293.15 | 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. PROTEIN CONCENTRATION 60MG/ML. |