8TYU
High-resolution crystal structure of the SPX domain of XPR1 at 1.4 angstroms
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-13 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.290, 47.798, 71.682 |
Unit cell angles | 90.00, 107.15, 90.00 |
Refinement procedure
Resolution | 35.750 - 1.400 |
R-factor | 0.16243 |
Rwork | 0.162 |
R-free | 0.19108 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.342 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.320 |
High resolution limit [Å] | 1.300 | 3.530 | 1.300 |
Rmerge | 0.052 | 0.045 | 0.620 |
Rmeas | 0.057 | 0.049 | 0.690 |
Rpim | 0.024 | 0.020 | 0.292 |
Total number of observations | 465906 | ||
Number of reflections | 87185 | 4550 | 3574 |
<I/σ(I)> | 12.2 | ||
Completeness [%] | 97.2 | 97.8 | 80 |
Redundancy | 5.3 | 5.7 | 3.9 |
CC(1/2) | 0.992 | 0.990 | 0.876 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 6% PEG 3350, 30% Ethylene Glycol, 0.1 M Sodium Citrate, 0.1 M MgCl2, pH 6.0. |