6IKM
Crystal structure of SpuE-Spermidine in complex with ScFv5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-11 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97791 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 146.235, 481.804, 146.134 |
| Unit cell angles | 90.00, 120.08, 90.00 |
Refinement procedure
| Resolution | 46.473 - 3.398 |
| R-factor | 0.2301 |
| Rwork | 0.228 |
| R-free | 0.26780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ttn 4buh |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.155 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.520 |
| High resolution limit [Å] | 3.400 | 7.320 | 3.400 |
| Rmerge | 0.134 | 0.060 | 0.569 |
| Rmeas | 0.152 | 0.067 | 0.661 |
| Rpim | 0.069 | 0.031 | 0.327 |
| Total number of observations | 1084709 | ||
| Number of reflections | 235574 | 23982 | 20836 |
| <I/σ(I)> | 5.1 | ||
| Completeness [%] | 98.6 | 99.8 | 87.6 |
| Redundancy | 4.6 | 4.7 | 3.4 |
| CC(1/2) | 0.993 | 0.794 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M Bis-Tris, pH 5.5, 0.2M Li2SO4, 20% PEG3350 |
