1RB2
DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE 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 | 1992-11-28 |
Detector | XUONG-HAMLIN MULTIWIRE |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.781, 75.717, 59.082 |
Unit cell angles | 90.00, 99.03, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.100 |
R-factor | 0.198 * |
Rwork | 0.198 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ra2 |
RMSD bond length | 0.019 |
RMSD bond angle | 3.000 |
Data reduction software | UCSD |
Data scaling software | UCSD |
Phasing software | MERLOT |
Refinement software | TNT (5D) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.098 * | 0.149 * |
Total number of observations | 72595 * | |
Number of reflections | 20914 | |
<I/σ(I)> | 10 | 2.1 |
Completeness [%] | 87.0 | 75 |
Redundancy | 3.5 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | macro seeding * | 8 | pH 8.0 |
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 | 90 (mM) | ||
4 | 1 | reservoir | Tris-HCl | 60 (mM) |