5YLC
Crystal Structure of MCR-1 Catalytic Domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2016-03-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.650, 72.440, 82.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.138 - 1.500 |
| R-factor | 0.1378 |
| Rwork | 0.136 |
| R-free | 0.18120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4tn0 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.172 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.138 | 1.554 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.035 | 0.314 |
| Number of reflections | 48451 | 4891 |
| <I/σ(I)> | 11.17 | 1.88 |
| Completeness [%] | 97.0 | 99 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 10% (v/v) PEG 1000, 5% (v/v) PEG 8000 |
