7ZGH
Crystal Structure of Amycolatopsis jejuensis Multiple Inositol Polyphosphate Phosphatase, 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 | 2017-10-23 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97950 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 67.840, 86.420, 70.110 |
Unit cell angles | 90.00, 98.29, 90.00 |
Refinement procedure
Resolution | 32.190 - 1.410 |
R-factor | 0.1507 |
Rwork | 0.149 |
R-free | 0.18310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6rxd |
RMSD bond length | 0.006 |
RMSD bond angle | 0.861 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 32.192 | 32.200 | 1.430 |
High resolution limit [Å] | 1.410 | 3.830 | 1.410 |
Rmerge | 0.068 | 0.026 | 0.825 |
Rpim | 0.036 | 0.014 | 0.556 |
Number of reflections | 152343 | 7834 | 6732 |
<I/σ(I)> | 12 | 48.4 | 1.2 |
Completeness [%] | 99.1 | 99.81 | 88.39 |
Redundancy | 4.3 | 4.41 | 2.85 |
CC(1/2) | 0.999 | 0.536 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 289 | 0.2 M Lithium sulfate, 0.1 M Phosphate/citrate, 20 % w/v PEG 1000 |