1RA9
DIHYDROFOLATE REDUCTASE COMPLEXED WITH NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM)
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 298 |
Detector technology | AREA DETECTOR |
Collection date | 1994-12-27 |
Detector | XUONG-HAMLIN MULTIWIRE |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 74.860, 59.566, 38.914 |
Unit cell angles | 90.00, 106.49, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.500 * |
Rwork | 0.169 |
Structure solution method | DIFFERENCE FOURIER |
Starting model (for MR) | 1ra3 |
RMSD bond length | 0.021 |
RMSD bond angle | 3.000 |
Data reduction software | UCSD |
Data scaling software | UCSD |
Phasing software | TNT |
Refinement software | TNT |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 1.610 |
High resolution limit [Å] | 1.500 * | 1.550 |
Rmerge | 0.048 * | |
Total number of observations | 75470 * | |
Number of reflections | 22697 | |
<I/σ(I)> | 12.8 | 2 |
Completeness [%] | 95.0 | 81.4 |
Redundancy | 3.3 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 7 | macroseeding * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | ecDHFR-NADP+ | ||
2 | 1 | drop | imidazole | 20 (mM) | |
3 | 1 | reservoir | PEG6000 | 30 (%(w/v)) | |
4 | 1 | reservoir | 11 (mM) | ||
5 | 1 | reservoir | 18 (mM) |