5XWI
Crystal Structure of SPAP, an alkaline phosphatase from Sphingomonas showing covalent intermediate
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 | 2012-10-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979576 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 87.600, 87.600, 168.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.384 - 1.872 |
R-factor | 0.1735 |
Rwork | 0.172 |
R-free | 0.21020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3q3q |
RMSD bond length | 0.007 |
RMSD bond angle | 1.095 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.400 | 1.980 |
High resolution limit [Å] | 1.870 | 1.870 |
Rmerge | 0.072 | 0.680 |
Number of reflections | 54473 | |
<I/σ(I)> | 13.56 | |
Completeness [%] | 99.3 | 97.5 |
Redundancy | 4 | 4.04 |
CC(1/2) | 0.998 | 0.690 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1.6M Ammonium Sulfate 100mM MES Buffer, pH 6.5, 1mM pNPP |