8KIF
The structure of MmaE with substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-08 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 |
| Unit cell lengths | 43.822, 77.951, 99.833 |
| Unit cell angles | 82.81, 78.34, 75.59 |
Refinement procedure
| Resolution | 24.480 - 2.130 |
| R-factor | 0.1831 |
| Rwork | 0.181 |
| R-free | 0.23250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.943 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.980 | 2.250 |
| High resolution limit [Å] | 2.130 | 2.130 |
| Number of reflections | 65034 | 9227 |
| <I/σ(I)> | 10.5 | |
| Completeness [%] | 93.4 | |
| Redundancy | 3.6 | |
| CC(1/2) | 0.997 | 0.851 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2 M Sodium acetate trihydrate, 0.1 M Tris/HCl (pH 8.5), 30% Polyethylene glycol 4000 |
