7D53
SpuA mutant - H221N with Glu
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 | 2019-11-09 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.349, 120.378, 158.786 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.610 - 1.600 |
| R-factor | 0.1634 |
| Rwork | 0.163 |
| R-free | 0.20200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7d4r |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.065 |
| 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 | 0.040 | 0.359 |
| Number of reflections | 120939 | 5983 |
| <I/σ(I)> | 27.7 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.4 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 293 | 0.2M Magnesium chloride hexahydrate, 0.1M Tris-HCl pH 8.5, 30% w/v Polyethylene glycol 4,000 |
