1MVS
Analysis of Two Polymorphic Forms of a Pyrido[2,3-d]pyrimidine N9-C10 Reverse-Bridge Antifolate Binary Complex with Human Dihydrofolate Reductase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 1994-12-19 |
Detector | RIGAKU RAXIS II |
Wavelength(s) | 1.5418 |
Spacegroup name | H 3 |
Unit cell lengths | 85.486, 85.486, 77.612 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 8.000 - 1.900 |
Rwork | 0.186 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hfr |
RMSD bond length | 0.024 |
RMSD bond angle | 0.280 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PROTEIN |
Refinement software | PROLSQ |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 8.000 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.056 * | |
Number of reflections | 9689 | |
Completeness [%] | 90.6 | 61.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 277 * | 0.1M phosphate buffer, 61% Ammonium sulfate, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | 100 (mM) | ||
2 | 1 | reservoir | phosphate | 50 (mM) | pH6.8 |
3 | 1 | drop | protein | 10.0 (mg/ml) | |
4 | 1 | drop | ammonium sulfate | 61 (%) | |
5 | 1 | drop | phosphate | 0.1 (M) | pH6.8 |