5ICF
Crystal structure of (S)-norcoclaurine 6-O-methyltransferase with S-adenosyl-L-homocysteine and sanguinarine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-09-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9798 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 73.340, 109.090, 40.950 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.770 - 1.800 |
R-factor | 0.1583 |
Rwork | 0.156 |
R-free | 0.19210 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.023 |
RMSD bond angle | 1.855 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 1.900 | ||
High resolution limit [Å] | 1.800 | 8.800 | 1.800 |
Rmerge | 0.055 | 0.016 | 0.287 |
Number of reflections | 31050 | ||
<I/σ(I)> | 18.69 | 43.64 | 4.95 |
Completeness [%] | 99.3 | 94.6 | 96.5 |
Redundancy | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | Peg3350, Sodium Citrate, Phosphate Citrate buffer |