5LY9
Structure of MITat 1.1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-08-26 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.507, 95.041, 103.753 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.520 - 1.650 |
| R-factor | 0.1674 |
| Rwork | 0.165 |
| R-free | 0.20460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.929 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.520 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.109 | 1.126 |
| Number of reflections | 93995 | |
| <I/σ(I)> | 13.4 | |
| Completeness [%] | 99.6 | 94.2 |
| Redundancy | 6.6 | 5.9 |
| CC(1/2) | 0.998 | 0.675 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 0.1M MES pH 5.5-6.5 13-18% PEG 20000 |
