3MCT
VACCINIA METHYLTRANSFERASE VP39 COMPLEXED WITH M3CYT AND S-ADENOSYLHOMOCYSTEINE
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 103 |
Detector technology | AREA DETECTOR |
Collection date | 1998-11-17 |
Detector | SIEMENS |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 85.384, 67.176, 80.160 |
Unit cell angles | 90.00, 117.38, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.000 |
R-factor | 0.234 |
Rwork | 0.234 |
R-free | 0.28500 |
Structure solution method | OTHER |
RMSD bond length | 0.011 |
RMSD bond angle | 24.460 * |
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] | 99.000 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.067 * | |
Number of reflections | 27130 | |
<I/σ(I)> | 21 | 7 |
Completeness [%] | 98.8 | |
Redundancy | 3.3 |
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) |