7ZGG
Crystal Structure of Amycolatopsis jejuensis Multiple Inositol Polyphosphate Phosphatase, phosphate-bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-08-05 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.91587 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 68.887, 86.910, 70.540 |
Unit cell angles | 90.00, 97.93, 90.00 |
Refinement procedure
Resolution | 69.870 - 1.660 |
R-factor | 0.1824 |
Rwork | 0.180 |
R-free | 0.22630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6rxd |
RMSD bond length | 0.007 |
RMSD bond angle | 0.875 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 69.930 | 69.930 | 1.720 |
High resolution limit [Å] | 1.659 | 3.570 | 1.660 |
Rmerge | 0.027 | 1.151 | |
Rmeas | 0.190 | 0.039 | 1.627 |
Number of reflections | 97117 | 9892 | 9679 |
<I/σ(I)> | 6.4 | 21.8 | 1 |
Completeness [%] | 99.9 | 100 | 99.5 |
Redundancy | 2 | 2 | 2 |
CC(1/2) | 0.998 | 0.215 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 289 | 0.2 M NaThiocyanate, 20 % PEG 3350 |