1RX3
DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH METHOTREXATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (REDUCED FORM)
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 293 |
Detector technology | AREA DETECTOR |
Collection date | 1996 |
Detector | XUONG-HAMLIN MULTIWIRE |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.360, 45.511, 98.691 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.200 |
Rwork | 0.156 |
Structure solution method | DIFFERENCE FOURIER |
Starting model (for MR) | DHFR-FOLATE-NADP COMPLEX |
RMSD bond length | 0.020 |
RMSD bond angle | 2.900 |
Data reduction software | UCSD |
Data scaling software | UCSD |
Phasing software | TNT |
Refinement software | TNT |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 100.000 |
High resolution limit [Å] | 2.200 |
Rmerge | 0.087 * |
Total number of observations | 35193 * |
Number of reflections | 8086 |
Completeness [%] | 97.0 |
Redundancy | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 7 | 4 * | macroseeding * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | ecDHFR-MTX-NADPH | ||
2 | 1 | drop | imidazole | 20 (mM) | |
3 | 1 | reservoir | PEG6000 | 23 (%(w/v)) | |
4 | 1 | reservoir | 300 (mM) | ||
5 | 1 | reservoir | imidazole | 20 (mM) |