6J8V
Structure of MOEN5-SSO7D fusion protein in complex with ligand 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-09-23 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 137.856, 217.336, 104.159 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.230 |
| R-factor | 0.17402 |
| Rwork | 0.172 |
| R-free | 0.22501 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5b02 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.640 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 2.310 |
| High resolution limit [Å] | 2.230 | 4.790 | 2.230 |
| Rmerge | 0.075 | 0.037 | 0.607 |
| Rmeas | 0.083 | 0.041 | 0.674 |
| Rpim | 0.035 | 0.017 | 0.288 |
| Total number of observations | 413417 | ||
| Number of reflections | 75822 | 7881 | 7486 |
| <I/σ(I)> | 11.1 | ||
| Completeness [%] | 99.7 | 99.7 | 99.4 |
| Redundancy | 5.5 | 5.4 | 5.1 |
| CC(1/2) | 0.998 | 0.806 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.1 | 298 | 0.2M LI3-CITRATE, 0.3M NACL, 25% W/V PEG 3350 |
