1RB3
DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE AND 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 | 1992-07-30 |
Detector | XUONG-HAMLIN MULTIWIRE |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.580, 74.180, 59.180 |
Unit cell angles | 90.00, 99.26, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.300 |
R-factor | 0.161 * |
Rwork | 0.161 |
Structure solution method | DIFFERENCE FOURIER |
Starting model (for MR) | 1rb2 |
RMSD bond length | 0.019 |
RMSD bond angle | 3.100 |
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 | 2.400 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.096 * | 0.210 * |
Total number of observations | 45132 * | |
Number of reflections | 14094 | |
<I/σ(I)> | 7.7 | 2.1 |
Completeness [%] | 96.0 | 75 |
Redundancy | 3.2 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | macro seeding * | 7 | pH 7.0 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | imidazole | 20 (mM) | |
2 | 1 | reservoir | PEG6000 | 25 (%(w/v)) | |
3 | 1 | reservoir | 50 (mM) | ||
4 | 1 | reservoir | imidazole | 60 (mM) |