3MAG
VACCINIA METHYLTRANSFERASE VP39 COMPLEXED WITH M3ADE AND S-ADENOSYLHOMOCYSTEINE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 103 |
| Detector technology | CCD |
| Collection date | 1997-08-22 |
| Detector | SIEMENS |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 84.500, 67.210, 79.560 |
| Unit cell angles | 90.00, 117.30, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.830 * |
| R-factor | 0.217 |
| Rwork | 0.217 |
| R-free | 0.25100 |
| Structure solution method | OTHER |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.600 |
| Data reduction software | SMART |
| Data scaling software | SAINT |
| Phasing software | X-PLOR (3.851) |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.900 |
| High resolution limit [Å] | 1.830 * | 1.800 |
| Rmerge | 0.051 * | |
| Number of reflections | 31435 | |
| <I/σ(I)> | 25 | 9 |
| Completeness [%] | 88.2 * | 88 |
| Redundancy | 3 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | other * | 4.5 * | used macroseeding, Hodel, A.E., (1996) Cell, 85, 247. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | PEG8000 | 10 (%) | |
| 2 | 1 | 1 | 0.125 (M) | ||
| 3 | 1 | 1 | citrate | 0.1 (M) |
