5YLE
MCR-1 complex with ethanolamine (ETA)
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 | 51.860, 73.270, 82.810 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.690 - 1.850 |
| R-factor | 0.1627 |
| Rwork | 0.159 |
| R-free | 0.20510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nt0 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.621 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASES |
| Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.690 | 1.916 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.072 | 0.373 |
| Number of reflections | 27304 | 2662 |
| <I/σ(I)> | 7.55 | 2.44 |
| Completeness [%] | 99.0 | 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 |
