5XWK
Crystal Structure of SPAP, an alkaline phosphatase from Sphingomonas in complex with inorganic phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-02-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979685 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 86.990, 86.990, 165.484 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 77.000 - 1.901 |
R-factor | 0.1692 |
Rwork | 0.167 |
R-free | 0.20350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3q3q |
RMSD bond length | 0.014 |
RMSD bond angle | 1.338 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 77.000 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.101 | 0.572 |
Number of reflections | 50640 | |
<I/σ(I)> | 17.5 | |
Completeness [%] | 99.7 | 95.7 |
Redundancy | 5.6 | 3.3 |
CC(1/2) | 0.997 | 0.773 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1.8M Ammonium Sulfate, 100mM Tris, pH 7.5 |