9EWK
Solvent organization in ultrahigh-resolution protein crystal structure at room temperature
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 297 |
Detector technology | PIXEL |
Collection date | 2023-04-14 |
Detector | DECTRIS PILATUS3 X 6M |
Wavelength(s) | 0.39995 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 22.725, 18.767, 41.059 |
Unit cell angles | 90.00, 90.55, 90.00 |
Refinement procedure
Resolution | 14.470 - 0.700 |
Rwork | 0.076 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | SHELX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 14.470 | 100.000 | 0.710 |
High resolution limit [Å] | 0.700 | 2.390 | 0.700 |
Rmerge | 0.048 | 0.021 | 2.218 |
Rmeas | 0.050 | 0.021 | 2.297 |
Rpim | 0.013 | 0.006 | 0.596 |
Number of reflections | 54039 | 1462 | 1320 |
<I/σ(I)> | 7.4 | ||
Completeness [%] | 98.2 | 99.3 | 99 |
Redundancy | 13.7 | 14 | 14.3 |
CC(1/2) | 1.000 | 0.999 | 0.620 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 80% (v/v) ethanol:water solution |