5ICC
Crystal structure of (S)-norcoclaurine 6-O-methyltransferase with S-adenosyl-L-homocysteine
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 | 2009-06-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9797 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 73.640, 108.990, 40.910 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.810 - 1.900 |
| R-factor | 0.1589 |
| Rwork | 0.157 |
| R-free | 0.20610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zg3 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.522 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 2.000 | ||
| High resolution limit [Å] | 1.900 | 8.900 | 1.900 |
| Rmerge | 0.098 | 0.027 | 0.393 |
| Number of reflections | 26573 | ||
| <I/σ(I)> | 17.15 | 44.06 | 4.1 |
| Completeness [%] | 99.3 | 97.5 | 95.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | Peg3350, Sodium Chloride, Phosphate Citrate buffer |
