8TYV
Crystal structure of the SPX domain of XPR1 in complex with IP8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-06-07 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.712, 47.754, 70.373 |
Unit cell angles | 90.00, 104.21, 90.00 |
Refinement procedure
Resolution | 36.050 - 1.850 |
R-factor | 0.2376 |
Rwork | 0.236 |
R-free | 0.27050 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.922 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.880 |
High resolution limit [Å] | 1.850 | 5.020 | 1.850 |
Rmerge | 0.047 | 0.032 | 0.611 |
Rmeas | 0.050 | 0.035 | 0.670 |
Rpim | 0.018 | 0.013 | 0.268 |
Total number of observations | 225578 | ||
Number of reflections | 30876 | 1548 | 1310 |
<I/σ(I)> | 15.4 | ||
Completeness [%] | 98.2 | 93.8 | 85.1 |
Redundancy | 7.3 | 7.1 | 5.5 |
CC(1/2) | 0.999 | 0.999 | 0.827 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 2mM IP8 soaked into crystals grown under 6% PEG 3350, 30% Ethylene Glycol, 0.1 M Sodium Citrate, 0.1 M MgCl2, pH 6.0 for 3 Days |