7KQ2
1.98 A resolution crystal structure of Group A Streptococcus H111A HupZ-V5-His6
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 | 2020-10-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 54.898, 54.898, 333.279 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.706 - 1.981 |
| R-factor | 0.1965 |
| Rwork | 0.193 |
| R-free | 0.22810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5esc |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.031 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.000 |
| High resolution limit [Å] | 1.970 | 5.350 | 1.970 |
| Rmerge | 0.171 | 0.084 | 0.972 |
| Rmeas | 0.174 | 0.086 | 0.987 |
| Rpim | 0.032 | 0.016 | 0.170 |
| Total number of observations | 661695 | ||
| Number of reflections | 22490 | 1368 | 1058 |
| <I/σ(I)> | 3.6 | ||
| Completeness [%] | 99.9 | 99.8 | 100 |
| Redundancy | 29.4 | 28.1 | 32 |
| CC(1/2) | 0.998 | 0.906 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 3.4 | 295 | 5 mg/mL protein, 0.1 M citric acid, 1.3 M ammonium sulfate, pH 3.4 |
