7Z2T
Escherichia coli periplasmic phytase AppA D304A mutant, complex with myo-inositol hexakissulfate
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 | 2017-10-08 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.490, 47.440, 65.560 |
Unit cell angles | 90.00, 100.77, 90.00 |
Refinement procedure
Resolution | 41.130 - 1.410 |
R-factor | 0.1491 |
Rwork | 0.147 |
R-free | 0.18000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dkl |
RMSD bond length | 0.005 |
RMSD bond angle | 0.842 |
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] | 41.130 | 1.460 |
High resolution limit [Å] | 1.410 | 1.410 |
Rpim | 0.047 | 0.511 |
Number of reflections | 73471 | 7274 |
<I/σ(I)> | 10.85 | 1.83 |
Completeness [%] | 99.2 | |
Redundancy | 2.9 | |
CC(1/2) | 0.997 | 0.494 |
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. |