3CD2
LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 293 |
| Collection date | 1996-07 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.425, 43.556, 61.659 |
| Unit cell angles | 90.00, 94.89, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.500 |
| Rwork | 0.176 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.044 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | PROLSQ |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.000 | 8.000 |
| High resolution limit [Å] | 2.500 | 1.900 |
| Rmerge | 0.052 | |
| Number of reflections | 6691 | |
| <I/σ(I)> | 10.5 | |
| Completeness [%] | 96.3 | |
| Redundancy | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 6 | temperature gradient * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | PEG2000 | 50 (%(w/v)) | 0.007ml |
| 2 | 1 | 1 | MES | 50 (mM) | |
| 3 | 1 | 1 | 100 (mM) | ||
| 4 | 1 | 1 | protein | 0.010ml | |
| 5 | 1 | 1 | MES/KCl | 0.003ml |
