7D4R
SpuA native structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.769, 72.625, 63.774 |
| Unit cell angles | 90.00, 98.99, 90.00 |
Refinement procedure
| Resolution | 40.960 - 1.600 |
| R-factor | 0.1922 |
| Rwork | 0.191 |
| R-free | 0.23140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vpi |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.046 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rpim | 0.050 | 0.221 |
| Number of reflections | 55668 | 2361 |
| <I/σ(I)> | 18.8 | |
| Completeness [%] | 98.1 | 83.8 |
| Redundancy | 3.3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.8 | 293 | 0.1 M BIS-Tris pH 6.8, 30% w/v Polyethylene glycol 3,350 |
