9DMD
YscN Yersinia ATPase delta 1-92, R359A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-03-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.629, 60.510, 65.145 |
| Unit cell angles | 94.53, 89.95, 98.81 |
Refinement procedure
| Resolution | 46.080 - 2.500 |
| R-factor | 0.1991 |
| Rwork | 0.196 |
| R-free | 0.25520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.484 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.080 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmeas | 0.155 | 0.381 |
| Rpim | 0.079 | 0.197 |
| Number of reflections | 22012 | 2119 |
| <I/σ(I)> | 8.9 | 4 |
| Completeness [%] | 90.7 | 87.35 |
| Redundancy | 3.7 | |
| CC(1/2) | 0.972 | 0.909 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 21-26% PEG 3350; 0.16-0.20 M Ammonium Sulfate; 0.1 M HEPES, pH 7.5 |
