8R3D
Crystal structure of Pent only at pH 8.8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-03-30 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.98011 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.740, 59.131, 72.464 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.810 - 1.710 |
R-factor | 0.1624 |
Rwork | 0.161 |
R-free | 0.18810 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.935 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.810 | 1.740 |
High resolution limit [Å] | 1.710 | 1.710 |
Rmerge | 0.102 | 0.610 |
Rmeas | 0.112 | 0.690 |
Rpim | 0.045 | 0.320 |
Number of reflections | 25008 | 1239 |
<I/σ(I)> | 11.2 | 2.2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.1 | 4.5 |
CC(1/2) | 0.997 | 0.790 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.8 | 293 | 15% PEG 10000 100 mM Tris-HCl pH 8.8 |