1DDS
MOLECULE: DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH METHOTREXATE
Experimental procedure
Detector technology | DIFFRACTOMETER |
Collection date | 1993-12-01 |
Detector | RIGAKU AFC-6R |
Spacegroup name | P 61 |
Unit cell lengths | 93.181, 93.185, 73.886 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.200 |
R-factor | 0.172 * |
Rwork | 0.177 |
R-free | 0.17100 * |
RMSD bond length | 0.013 |
RMSD bond angle | 1.920 |
Data reduction software | TEXSAN |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 30.000 |
High resolution limit [Å] | 2.200 |
Rmerge | 0.090 * |
Number of reflections | 11006 * |
Completeness [%] | 100.0 |
Redundancy | 1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 6.8 * | 4 * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | L-histidine | 0.5 (M) | |
2 | 1 | drop | calcium acetate | 0.5 (M) | |
3 | 1 | reservoir | Tris | 0.1 (M) | |
4 | 1 | reservoir | ethanol | 6.5 (%(v/v)) |