5KVA
Crystal Structure of sorghum caffeoyl-CoA O-methyltransferase (CCoAOMT)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-05-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.531, 91.562, 55.783 |
Unit cell angles | 90.00, 90.69, 90.00 |
Refinement procedure
Resolution | 47.636 - 1.827 |
R-factor | 0.1601 |
Rwork | 0.159 |
R-free | 0.19320 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.101 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.640 | 1.860 |
High resolution limit [Å] | 1.827 | 1.827 |
Number of reflections | 48949 | |
<I/σ(I)> | 7.19 | |
Completeness [%] | 99.0 | 91.8 |
Redundancy | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 0.2 M calcium acetate hydrate, 0.1 M Tris pH 8.0, 20% PEG 4000 |