5TJ3
Crystal structure of wild type alkaline phosphatase PafA to 1.7A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-06-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.99 |
Spacegroup name | I 4 |
Unit cell lengths | 113.797, 113.797, 71.442 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.986 - 1.700 |
R-factor | 0.1596 |
Rwork | 0.158 |
R-free | 0.17680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3q3q |
RMSD bond length | 0.003 |
RMSD bond angle | 0.614 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (0.5.23) |
Phasing software | PHASER (2.5.7) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.986 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.287 | 0.500 |
Number of reflections | 48644 | |
<I/σ(I)> | 8.4 | |
Completeness [%] | 96.6 | 85.3 |
Redundancy | 5.4 | 1.9 |
CC(1/2) | 0.958 | 0.416 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.4 | 291 | 22% PEG3350, 0.1 M sodium acetate, pH 4.4, 0.2 mM ammonium sulfate |