5ZY5
spCOMT apo structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-11-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.420, 79.792, 104.519 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.055 - 2.295 |
| R-factor | 0.1962 |
| Rwork | 0.194 |
| R-free | 0.24610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pyj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.093 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmerge | 0.084 | 0.371 |
| Number of reflections | 27483 | 2744 |
| <I/σ(I)> | 18.68 | |
| Completeness [%] | 94.8 | |
| Redundancy | 6.7 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 21% PEG 4000, 0.1M MES pH5.6, 0.15M (NH4)2SO4 |
