7R5Y
Crystal Structure of Prevotella sp. CAG:617 Multiple Inositol Polyphosphate Phosphatase, 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 | 2018-05-20 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 145.140, 263.630, 85.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 73.370 - 1.970 |
R-factor | 0.1551 |
Rwork | 0.152 |
R-free | 0.21950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4tsr |
RMSD bond length | 0.007 |
RMSD bond angle | 0.852 |
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] | 73.370 | 73.420 | 2.000 |
High resolution limit [Å] | 1.970 | 5.350 | 1.970 |
Rmerge | 0.159 | 0.060 | 1.560 |
Rpim | 0.068 | 0.026 | 0.647 |
Number of reflections | 230183 | 12143 | 11409 |
<I/σ(I)> | 8 | 21.3 | 1.2 |
Completeness [%] | 100.0 | 100 | 99.9 |
Redundancy | 6.6 | 6.17 | 6.8 |
CC(1/2) | 0.997 | 0.558 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 289 | 0.1M NaCl, 30% w/v polypropylene glycol 400 |