1U71
Understanding the Role of Leu22 Variants in Methotrexate Resistance: Comparison of Wild-type and Leu22Arg Variant Mouse and Human Dihydrofolate Reductase Ternary Crystal Complexes with Methotrexate and NADPH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 1994-07-18 |
Detector | RIGAKU RAXIS IIC |
Spacegroup name | H 3 |
Unit cell lengths | 85.144, 85.144, 78.042 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.200 |
Rwork | 0.211 |
R-free | 0.23600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | wild type hDHFR |
RMSD bond length | 0.018 |
RMSD bond angle | 0.059 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PROTEIN |
Refinement software | PROLSQ |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.300 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.058 | |
Number of reflections | 6383 | |
Completeness [%] | 87.1 | 60.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 62% AS, phosphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |