3VC1
Crystal structure of geranyl diphosphate C-methyltransferase from Streptomyces coelicolor A3(2) in complex with Mg2+, geranyl-S-thiolodiphosphate, and S-adenosyl-L-homocysteine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 97.029, 102.903, 203.582 |
| Unit cell angles | 90.00, 99.59, 90.00 |
Refinement procedure
| Resolution | 46.280 - 1.820 |
| R-factor | 0.1669 |
| Rwork | 0.167 |
| R-free | 0.19360 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.611 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL2Map |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.890 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.106 | 0.536 |
| Number of reflections | 348804 | |
| <I/σ(I)> | 10.2 | 2.1 |
| Completeness [%] | 99.1 | 98.7 |
| Redundancy | 3.1 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 100 mM HEPES (pH 7.5), 25% polyethylene glycol 3350, 200 mM (NH4)2SO4, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
