1VJ3
STRUCTURAL STUDIES ON BIO-ACTIVE COMPOUNDS. CRYSTAL STRUCTURE AND MOLECULAR MODELING STUDIES ON THE PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COFACTOR COMPLEX WITH TAB, A HIGHLY SELECTIVE ANTIFOLATE.
Replaces: 1D8RExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-02-01 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.481, 43.137, 61.288 |
| Unit cell angles | 90.00, 94.74, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.100 |
| R-factor | 0.19 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 0.065 |
| Data reduction software | DENZO |
| Phasing software | AMoRE |
| Refinement software | PROFFT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.069 * | 0.187 |
| Number of reflections | 10325 | |
| <I/σ(I)> | 4.1 | |
| Completeness [%] | 97.8 | 97.8 * |
| Redundancy | 2.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 6 | 4 * | pH 6.00 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | MES/KCl | ||
| 2 | 1 | 1 | PEG2000 | 50 (%(w/v)) | |
| 3 | 1 | 1 | 100 (mM) | ||
| 4 | 1 | 1 | MES | 50 (mM) | pH6.0 |
