7D50
SpuA mutant - H221N with glutamyl-thioester
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 | 2018-04-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.691, 79.151, 145.324 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.320 - 1.770 |
| R-factor | 0.1409 |
| Rwork | 0.139 |
| R-free | 0.17490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7d4r |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.147 |
| 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 | 1.800 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rpim | 0.066 | 0.193 |
| Number of reflections | 44623 | 2172 |
| <I/σ(I)> | 16.6 | 4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.5 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | 0.2 M ammonium acetate, 0.01 M magnesium acetate tetrahydrate, 0.05 M sodium cacodylate trihydrate pH 6.5, 30% w/v Polyethylene glycol 8,000 |
