7OV2
Crystal structure of pig purple acid phosphatase in complex with L-glutamine, (poly)ethylene glycol fragments and glycerol
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 | 2012-11-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.447, 68.668, 77.007 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.250 - 2.100 |
R-factor | 0.1451 |
Rwork | 0.142 |
R-free | 0.19570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ute |
RMSD bond length | 0.008 |
RMSD bond angle | 0.978 |
Data reduction software | XDS |
Data scaling software | pointless |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 77.010 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.131 | 0.491 |
Rmeas | 0.141 | 0.528 |
Rpim | 0.052 | 0.193 |
Number of reflections | 20575 | 2938 |
<I/σ(I)> | 12.8 | 4.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.2 | |
CC(1/2) | 0.997 | 0.905 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING 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 |