8W68
Crystal structure of Q9PR55 at pH 6.0 (use NMR model)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL15A1 |
Synchrotron site | NSRRC |
Beamline | BL15A1 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2022-12-16 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 74.433, 54.144, 77.184 |
Unit cell angles | 90.00, 92.07, 90.00 |
Refinement procedure
Resolution | 28.640 - 2.300 |
R-factor | 0.2216 |
Rwork | 0.220 |
R-free | 0.25960 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.871 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX (1.20.1_4487) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.100 | 0.859 |
Rmeas | 0.107 | 0.936 |
Rpim | 0.039 | 0.365 |
Number of reflections | 27311 | 2517 |
<I/σ(I)> | 30 | 2 |
Completeness [%] | 98.6 | 92.2 |
Redundancy | 7.1 | 5.6 |
CC(1/2) | 0.901 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 1.0M Na/K tartrate, 0.1M MES, pH 6.0 |