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 |