7QOW
Crystal structure of Vibrio alkaline phosphatase in 1.0 M NaCl
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-10-09 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.976 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 77.202, 85.993, 85.139 |
Unit cell angles | 90.00, 113.37, 90.00 |
Refinement procedure
Resolution | 43.000 - 1.200 |
R-factor | 0.1316 |
Rwork | 0.131 |
R-free | 0.15960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3e2d |
RMSD bond length | 0.010 |
RMSD bond angle | 1.145 |
Data reduction software | XDS (Feb 5, 2021) |
Data scaling software | XSCALE (Feb 5, 2021) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (dev_3958) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.000 | 1.270 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmeas | 0.052 | 1.830 |
Number of reflections | 1999077 | 198148 |
<I/σ(I)> | 17.21 | 0.79 |
Completeness [%] | 95.9 | 80.9 |
Redundancy | 6.55 | 4.77 |
CC(1/2) | 1.000 | 0.300 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 28% PEG3350, 1.0 M NaCl, 0.1 M Tris pH 7.0. Grown from seed crystals grown in 28% PEG3350, 0.8 M NaCl, 0.1 M Tris pH 7.0. |