7Z32
Escherichia coli periplasmic phytase AppA D304A mutant, phosphohistidine intermediate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-13 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.750, 47.960, 65.970 |
Unit cell angles | 90.00, 101.08, 90.00 |
Refinement procedure
Resolution | 38.540 - 1.850 |
R-factor | 0.1662 |
Rwork | 0.163 |
R-free | 0.22440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dkl |
RMSD bond length | 0.007 |
RMSD bond angle | 0.865 |
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] | 38.540 | 1.916 |
High resolution limit [Å] | 1.850 | 1.850 |
Rpim | 0.088 | 0.407 |
Number of reflections | 32709 | 3234 |
<I/σ(I)> | 10.04 | 2.12 |
Completeness [%] | 97.1 | |
Redundancy | 3.2 | |
CC(1/2) | 0.996 | 0.590 |
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. |