1DAJ
COMPARISON OF TERNARY COMPLEXES OF PNEUMOCYSTIS CARINII AND WILD TYPE HUMAN DIHYDROFOLATE REDUCTASE WITH COENZYME NADPH AND A NOVEL CLASSICAL ANTITUMOR FURO[2,3D]PYRIMIDINE ANTIFOLATE
Experimental procedure
Detector technology | IMAGE PLATE |
Collection date | 1994-07-14 |
Detector | RIGAKU RAXIS |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.171, 43.094, 61.049 |
Unit cell angles | 90.00, 94.85, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.300 |
R-factor | 0.181 * |
Rwork | 0.181 |
RMSD bond length | 0.012 |
RMSD bond angle | 0.038 |
Data reduction software | R-AXIS (II) |
Refinement software | PROFFT |
Data quality characteristics
Overall | |
Rmerge | 0.070 |
Number of reflections | 5958 |
Completeness [%] | 65.5 |
Redundancy | 3.09 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7 * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 3.6 (mg/ml) | |
2 | 1 | drop | PEG8000 | 10 (%(w/v)) | |
3 | 1 | drop | imidazole-HCl | 0.1 (M) | |
4 | 1 | drop | dithiothreitol | 1 (mM) | |
5 | 1 | reservoir | imidazole-HCl | 0.1 (M) | |
6 | 1 | reservoir | dithiothreitol | 1 (mM) | |
7 | 1 | reservoir | PEG8000 | 10 (%(w/v)) |