7Z00
Crystal structure of Vibrio alkaline phosphatase in 1.0 M KBr
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 EIGER2 X 16M |
Wavelength(s) | 0.918 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 99.250, 118.120, 84.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.390 - 2.600 |
R-factor | 0.2467 |
Rwork | 0.242 |
R-free | 0.29130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3e2d |
RMSD bond length | 0.007 |
RMSD bond angle | 0.988 |
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] | 48.390 | 2.670 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmeas | 0.156 | 2.994 |
Number of reflections | 209590 | 15872 |
<I/σ(I)> | 7.96 | |
Completeness [%] | 99.8 | 100 |
Redundancy | 7.12 | 7.21 |
CC(1/2) | 0.998 | 0.371 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 13.4 mg/mL protein in 24% PEG3350, 1.0 M KBr and 0.1 M Tris pH 7.0. Grown from seed crystals grown in 24% PEG3350, 0.4 M KBr, pH 7.0. |