7Z2Y
Escherichia coli periplasmic phytase AppA T305E mutant, complex with myo-inositol hexakissulfate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-10-22 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.554, 47.464, 65.445 |
Unit cell angles | 90.00, 100.69, 90.00 |
Refinement procedure
Resolution | 41.150 - 1.860 |
R-factor | 0.1867 |
Rwork | 0.183 |
R-free | 0.25750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dkl |
RMSD bond length | 0.009 |
RMSD bond angle | 1.125 |
Data reduction software | xia2 |
Data scaling software | pointless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.150 | 1.927 |
High resolution limit [Å] | 1.860 | 1.860 |
Rpim | 0.098 | 0.567 |
Number of reflections | 32339 | 3215 |
<I/σ(I)> | 5.55 | 1.57 |
Completeness [%] | 98.2 | 96.52 |
Redundancy | 2.9 | 3 |
CC(1/2) | 0.987 | 0.497 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 100 mM MES pH 6.5, 18 % w/v PEG 8000, 200 mM calcium acetate. Soaked in 20 % w/v PEG 3350, 9 mM IHS in 0.6 M glycine pH 3.0, 20 % glycerol. |